@text GLUCOSE OXIDASE FROM APERGILLUS NIGER *{Kinemage 1}* Glucose oxidase catalyzes the oxidation of beta-D-glucose to the products delta-gluconolactone and hydrogen peroxide. The enzyme exists as a homodimer. At the active site (view 2) are His516 and His559 which can serve as bases during reduction and acids during oxidation. His516 is conserved in all glucose oxidases. It forms a hydrogen bond to the side chain oxygen of Gln329. His559 forms a hydrogen bond to Glu412. Trp426 and Phe414 cover Glu412 and, along with Tyr515, contribute to the hydrophobicity of the active site. The catalysis process is dependent upon flavin-adenine dinucleotide (FAD) which binds near the active site (view 3). There are three conserved salt bridges in the FAD-binding domain. Arg545 (view 4) forms a salt bridge to both Glu284 and Asp578. Arg37 and Glu40 are also connected by a salt bridge (view 5). One disulfide occurs between Cys164 and Cys206 (view 6), offering stability to the molecule. *{Kinemage 2}* Upon binding, FAD makes several contacts to the surrounding enzyme. At the adenine portion of the molecule (view 2) N6 makes a hydrogen bond to the backbone oxygen of Val250 while N1 contacts its backbone nitrogen. O2' and O3' of the ribose ring (view 3) make hydrogen bonds with the two side chain oxygens of Glu50. At the pyrophosphate group (view 4) O2 makes contact with the backbone nitrogen of Gly549. O1 makes two hydrogen bonds: one to the backbone nitrogen of Thr30 and a second to the oxygen of its side chain. One contact is made in the ribityl region (view 5) between O2' and the nitrogen from the side chain of Asn 107. The flavin group makes four hydrogen bonds. O2 bonds the backbone nitrogen of Met561. N4 bonds to the backbone oxygen of Thr 110. O4 binds the backbone nitrogen of both Thr110 and Gly108. *{Kinemage 3}* The third kinemage focuses on the secondary structure of one glucose oxidase monomer. Each monomer has two domains. The first is the FAD-binding domain (view 2). In it the five-stranded parallel beta sheet A has a small beta sheet (sheet B) on one side and three helices on the other. These three include helix 1(view 3). Helix 1 (residues 29-38) is part of a beta-alpha-beta motif and is located near the site of the FAD binding. Its dipole is aligned to help offset the negatively charged pyrophosphate group of FAD. Turning on "Hlx Dipole" shows an arrow indicating the dipole direction. The second domain is the substrate-binding domain (view 4). It has a large beta sheet (view 5) and six helices. The beta sheet is one side of a pocket (view 6) that contains the active site opposite the sheet. When a dimer is formed, two beta-turn-beta motifs from each monomer form the interface (view 7). These two motifs are created by residues 75-98 and 432-455. Residues 75 and 432 are labeled for easier identification. *{Kinemage 4}* Residues 75 to 98 of the enzyme create two strands that form an irregular beta-turn-beta motif (view 1). The irregularity of their structure is due to the hydrogen bonding of Thr82 (view 2) to its neighboring Val83 as well as to Ala92 on the opposite strand. This motif forms a "lid" covering the FAD cofactor inside (view 3). The lid is at the interface in dimer formation and prevents the cofactor from escaping. Within the dimer the two lids form the sides of a tunnel to the active site within the molecule. It is hypothesized that the lid is actually open when the enzyme is in monomeric form, which is evidenced by the escape of the FAD molecule. At the tip of the "lid" is Asn89 which is a glycosylation site (view 4). Attached at this site is a large carbohydrate structure formed from an N-acetyl-D-glucosamine (NAG) and three mannose molecules (MAN). This carbohydrate moiety is a bridge between the two chains in the dimer. Three other glyscosylation sites of the enzyme are confirmed. They are located at Asn161 (view 5), Asn355 (view 6), and Asn388 (view 7). It is possible Asn168 also serves as a glycosylation site. References: Hecht, H.J., Kalisz, H.M., Hendle, J., Schmid, R.D., and Schomburg, D. (1993). Crystal structure of glucose oxidase from Aspergillus niger refined at 2.3 A resolution. J. Mol. Biol. 229, 153-172. Wohlfahrt, G., Witt, S., Hendle, J., Schomburg, D., Kalisz, H.M., Hecht, H.J. (1999). 1.8 and 1.9 A resolution structures of the Penicillium amagasakiense and Aspergillus niger glucose oxidases as a basis for modelling substrate complexes. Biological Crystallography. 55, 969-977. http://journals.iucr.org/d/issues/1999/05/00/se0263/index.html. (coordinates from file: 1CF3.PDB) @kinemage 1 @caption Glucose Oxidase from Apergillus niger The active site of glucose oxidase is illustrated along with the bound cofactor and the conserved salt bridges in the FAD binding region. @onewidth @viewid {Overview} @zoom 1.00 @zslab 200 @ztran 0 @center 40.088 7.761 53.267 @matrix 1.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 1.000000 @2viewid {Active Site} @2zoom 4.20 @2zslab 200 @2ztran 0 @2center 42.662 9.863 53.613 @2matrix 0.995961 -0.011358 0.089065 -0.005691 0.981987 0.188864 -0.089606 -0.188608 0.977956 @3viewid {FAD} @3zoom 2.79 @3zslab 130 @3ztran 0 @3center 35.792 8.702 55.254 @3matrix 0.449549 -0.668676 -0.592267 0.893231 0.341504 0.292429 0.006722 -0.660491 0.750804 @4viewid {Arg 545} @4zoom 4.70 @4zslab 200 @4ztran 0 @4center 21.048 -0.341 40.269 @4matrix 0.945480 0.009258 -0.325550 0.258497 0.586717 0.767426 0.198110 -0.809740 0.552335 @5viewid {Arg37-Glu40} @5zoom 3.70 @5zslab 273 @5ztran 0 @5center 18.873 16.259 44.713 @5matrix 0.870350 0.442827 -0.215394 0.160138 0.159108 0.974187 0.465667 -0.882377 0.067567 @6viewid {Disulfide} @6zoom 3.40 @6zslab 470 @6ztran 0 @6center 43.157 25.629 36.363 @6matrix -0.102426 -0.923781 0.368966 0.082141 0.361796 0.928632 -0.991343 0.125424 0.038823 @master {Calphas} @master {sidechain} @master {Sugars} @master {atoms} @group {Glucose Oxida} dominant @subgroup {mainchain} @vectorlist {Calphas} color= white master= {Calphas} { ca gly a 3 B46.68}P 13.223 19.849 64.565 {"}13.223 19.849 64.565 { ca ile a 4 B45.78}15.215 17.067 62.893 { ca glu a 5 B46.87}15.539 15.112 66.161 { ca ala a 6 B43.45}11.752 14.694 66.409 { ca ser a 7 B39.96}11.530 13.348 62.844 { ca leu a 8 B35.96}14.070 10.541 63.423 { ca leu a 9 B32.79}12.723 7.079 64.223 { ca thr a 10 B35.58}14.041 5.200 67.264 { ca asp a 11 B39.79}11.447 2.478 67.789 { ca pro a 12 B43.21}12.083 -0.720 65.839 { ca lys a 13 B47.51}8.338 -1.417 65.660 { ca asp a 14 B47.09}7.822 1.771 63.627 { ca val a 15 B44.85}9.536 0.172 60.591 { ca ser a 16 B42.71}9.294 -3.545 61.366 { ca gly a 17 B42.31}7.528 -5.463 58.587 { ca arg a 18 B40.89}7.019 -2.445 56.305 { ca thr a 19 B35.89}8.160 -2.263 52.672 { ca val a 20 B28.13}10.097 0.633 51.142 { ca asp a 21 B22.90}11.672 1.168 47.707 { ca tyr a 22 B21.45}15.302 1.309 48.865 { ca ile a 23 B19.42}16.969 0.403 52.174 { ca ile a 24 B17.61}20.345 2.062 52.920 { ca ala a 25 B16.27}22.391 0.333 55.645 { ca gly a 26 B15.87}24.499 3.082 57.239 { ca gly a 27 B16.18}23.840 6.824 57.574 { ca gly a 28 B15.85}27.338 8.097 56.714 { ca leu a 29 B15.46}28.937 10.139 53.933 { ca thr a 30 B16.08}27.889 7.902 51.040 { ca gly a 31 B15.57}24.620 6.689 52.578 { ca leu a 32 B18.48}23.180 10.170 53.282 { ca thr a 33 B20.52}24.358 11.640 49.958 { ca thr a 34 B19.96}22.576 8.744 48.225 { ca ala a 35 B22.63}19.430 9.024 50.376 { ca ala a 36 B24.71}19.052 12.764 49.657 { ca arg a 37 B31.43}19.723 12.242 45.947 { ca leu a 38 B31.18}17.223 9.396 45.581 { ca thr a 39 B33.44}14.394 11.161 47.460 { ca glu a 40 B39.71}14.490 14.160 45.087 { ca asn a 41 B40.39}11.915 12.063 43.199 { ca pro a 42 B40.03}8.788 12.158 45.384 { ca asn a 43 B39.46}7.714 8.669 44.263 { ca ile a 44 B35.67}10.753 6.880 45.703 { ca ser a 45 B32.86}10.660 5.863 49.352 { ca val a 46 B28.89}13.964 5.428 51.187 { ca leu a 47 B24.12}14.775 4.077 54.649 { ca val a 48 B22.03}18.217 4.729 56.200 { ca ile a 49 B19.36}19.251 2.463 59.150 { ca glu a 50 B16.89}22.097 3.993 61.211 { ca ser a 51 B16.94}23.733 2.474 64.290 { ca gly a 52 B17.94}24.371 5.903 65.847 { ca ser a 53 B22.30}22.206 9.011 66.151 { ca tyr a 54 B23.46}22.033 12.754 65.483 { ca glu a 55 B21.61}25.179 14.533 66.682 { ca ser a 56 B23.37}25.651 17.511 64.368 { ca asp a 57 B27.65}24.390 20.189 66.785 { ca arg a 58 B25.57}25.978 18.649 69.904 { ca gly a 59 B23.04}28.474 21.464 70.530 { ca pro a 60 B21.91}32.094 22.315 69.727 { ca ile a 61 B19.96}33.247 18.705 70.178 { ca ile a 62 B20.38}31.537 17.964 66.834 { ca glu a 63 B24.65}31.112 21.413 65.299 { ca asp a 64 B24.28}34.612 22.883 65.643 { ca leu a 65 B20.86}37.321 21.352 63.445 { ca asn a 66 B20.52}39.966 22.635 65.886 { ca ala a 67 B19.48}38.679 20.150 68.491 { ca tyr a 68 B18.78}39.646 17.296 66.148 { ca gly a 69 B16.93}40.461 14.161 68.172 { ca asp a 70 B18.72}38.538 15.015 71.354 { ca ile a 71 B16.08}35.605 12.764 70.393 { ca phe a 72 B14.12}37.760 9.601 70.008 { ca gly a 73 B16.20}36.891 6.848 72.516 { ca ser a 74 B15.53}33.333 8.141 72.964 { ca ser a 75 B16.64}30.082 6.571 71.776 { ca val a 76 B15.61}30.497 8.582 68.530 { ca asp a 77 B14.30}33.643 6.535 67.776 { ca his a 78 B12.34}33.248 2.873 66.753 { ca ala a 79 B13.07}36.921 2.245 67.686 { ca tyr a 80 B11.62}37.198 -1.010 65.707 { ca glu a 81 B12.31}40.034 -3.163 67.019 { ca thr a 82 B13.01}42.511 -4.795 64.621 { ca val a 83 B14.26}43.956 -8.266 65.165 { ca glu a 84 B15.70}47.327 -8.337 66.950 { ca leu a 85 B13.51}49.507 -6.868 64.202 { ca ala a 86 B12.75}52.468 -8.861 62.937 { ca thr a 87 B13.67}54.675 -5.750 62.645 { ca asn a 88 B15.68}54.701 -5.010 66.381 { ca asn a 89 B19.57}52.516 -7.593 68.189 { ca gln a 90 B22.07}50.031 -4.877 69.273 { ca thr a 91 B20.41}46.364 -4.261 68.441 { ca ala a 92 B15.79}45.439 -0.885 66.929 { ca leu a 93 B13.24}42.226 1.122 67.095 { ca ile a 94 B12.26}40.477 2.223 63.903 { ca arg a 95 B11.25}38.684 5.507 64.535 { ca ser a 96 B14.64}35.377 5.638 62.661 { ca gly a 97 B14.59}32.338 7.888 63.169 { ca asn a 98 B15.58}29.203 6.439 64.718 { ca gly a 99 B14.60}26.161 8.608 64.014 { ca leu a 100 B13.96}24.393 10.404 61.166 { ca gly a 101 B11.68}27.157 11.656 58.913 { ca gly a 102 B12.23}29.506 8.788 59.823 { ca ser a 103 B13.54}33.206 9.624 59.751 { ca thr a 104 B12.88}32.516 13.147 58.498 { ca leu a 105 B16.20}31.452 13.865 62.125 { ca val a 106 B17.62}34.946 13.188 63.497 { ca asn a 107 B17.53}37.392 13.933 60.653 { ca gly a 108 B16.19}39.868 16.730 59.959 { ca gly a 109 B17.76}37.805 18.335 57.179 { ca thr a 110 B16.47}40.676 18.481 54.616 { ca trp a 111 B16.61}39.272 18.952 51.115 { ca thr a 112 B15.46}41.584 17.979 48.253 { ca arg a 113 B16.60}41.506 15.864 45.056 { ca pro a 114 B17.85}43.743 13.128 43.609 { ca his a 115 B20.21}45.975 13.107 40.520 { ca lys a 116 B21.70}44.119 12.800 37.207 { ca ala a 117 B19.23}45.997 9.613 36.206 { ca gln a 118 B18.59}44.888 7.767 39.350 { ca val a 119 B19.14}41.181 8.103 38.602 { ca asp a 120 B19.76}41.710 7.480 34.869 { ca ser a 121 B17.96}43.242 4.065 35.668 { ca trp a 122 B19.27}39.883 2.945 37.140 { ca glu a 123 B21.47}38.602 2.871 33.556 { ca thr a 124 B25.84}41.741 1.954 31.607 { ca val a 125 B24.45}43.351 -0.590 33.951 { ca phe a 126 B24.54}40.421 -1.823 36.045 { ca gly a 127 B23.92}37.852 -1.752 33.226 { ca asn a 128 B23.22}35.237 0.345 35.034 { ca glu a 129 B25.21}33.613 2.022 32.054 { ca gly a 130 B19.27}32.781 5.649 32.811 { ca trp a 131 B20.29}34.982 6.006 35.916 { ca asn a 132 B23.55}37.599 8.453 34.643 { ca trp a 133 B25.91}38.888 11.834 35.883 { ca asp a 134 B29.41}36.640 13.825 33.556 { ca asn a 135 B26.66}33.457 12.113 34.784 { ca val a 136 B22.61}34.416 11.839 38.472 { ca ala a 137 B21.93}35.711 15.414 38.577 { ca ala a 138 B22.05}32.428 16.663 37.072 { ca tyr a 139 B20.76}30.414 14.975 39.823 { ca ser a 140 B22.08}32.948 16.305 42.384 { ca leu a 141 B25.27}32.344 19.869 41.203 { ca gln a 142 B26.84}28.572 19.287 41.292 { ca ala a 143 B26.20}28.797 18.312 44.974 { ca glu a 144 B26.32}31.005 21.267 45.933 { ca arg a 145 B29.44}30.057 24.671 47.306 { ca ala a 146 B28.57}33.410 26.419 47.703 { ca arg a 147 B30.10}34.249 29.944 48.837 { ca ala a 148 B32.62}37.337 31.811 47.587 { ca pro a 149 B33.48}39.836 33.062 50.179 { ca asn a 150 B34.87}39.960 36.681 51.351 { ca ala a 151 B33.25}42.923 39.066 51.383 { ca lys a 152 B32.13}44.088 37.891 54.827 { ca gln a 153 B28.63}43.867 34.220 53.777 { ca ile a 154 B29.00}45.646 34.838 50.455 { ca ala a 155 B26.87}48.349 36.736 52.315 { ca ala a 156 B25.17}48.851 33.713 54.585 { ca gly a 157 B24.34}49.478 31.425 51.597 { ca his a 158 B25.98}46.130 30.381 50.133 { ca tyr a 159 B30.62}45.727 30.071 46.386 { ca phe a 160 B30.80}42.385 29.246 44.765 { ca asn a 161 B35.78}41.891 28.465 41.063 { ca ala a 162 B32.16}38.207 29.186 40.382 { ca ser a 163 B31.54}38.086 26.750 37.443 { ca cys a 164 B29.41}38.750 23.804 39.754 { ca his a 165 B29.61}35.962 24.365 42.319 { ca gly a 166 B30.09}32.167 24.199 42.149 { ca val a 167 B31.14}30.279 27.127 43.683 { ca asn a 168 B32.89}26.692 25.919 43.263 { ca gly a 169 B30.42}26.819 22.539 44.974 { ca thr a 170 B26.27}25.850 21.216 48.382 { ca val a 171 B22.66}29.004 20.752 50.479 { ca his a 172 B23.16}30.133 24.055 52.001 { ca ala a 173 B22.78}33.935 24.345 51.815 { ca gly a 174 B21.87}36.300 27.256 52.499 { ca pro a 175 B23.35}39.420 28.305 54.377 { ca arg a 176 B23.68}39.515 27.416 58.052 { ca asp a 177 B27.46}39.887 30.722 59.929 { ca thr a 178 B31.28}39.989 30.768 63.731 { ca gly a 179 B37.22}40.159 34.580 63.675 { ca asp a 180 B39.97}43.712 34.943 64.955 { ca asp a 181 B35.15}46.748 35.699 62.809 { ca tyr a 182 B29.89}48.049 33.039 60.428 { ca ser a 183 B26.76}51.453 31.599 61.369 { ca pro a 184 B26.64}54.389 32.646 59.185 { ca ile a 185 B25.77}55.681 29.064 59.406 { ca val a 186 B28.75}53.447 28.151 56.416 { ca lys a 187 B30.05}55.305 30.617 54.153 { ca ala a 188 B26.36}58.596 29.529 55.732 { ca leu a 189 B23.41}57.908 25.888 54.743 { ca met a 190 B24.58}56.999 26.978 51.208 { ca ser a 191 B24.93}60.260 28.905 51.004 { ca ala a 192 B24.45}62.238 25.896 52.263 { ca val a 193 B25.42}60.790 23.540 49.651 { ca glu a 194 B32.39}61.096 26.199 46.935 { ca asp a 195 B35.54}64.866 26.157 47.575 { ca arg a 196 B33.80}64.921 22.469 46.544 { ca gly a 197 B30.67}62.893 23.046 43.358 { ca val a 198 B28.02}59.546 21.848 44.754 { ca pro a 199 B25.88}56.411 23.675 43.606 { ca thr a 200 B25.50}54.221 25.652 46.003 { ca lys a 201 B26.88}50.667 26.998 45.921 { ca lys a 202 B27.73}49.242 24.691 43.218 { ca asp a 203 B24.26}45.492 24.369 43.875 { ca phe a 204 B22.03}45.091 20.798 45.165 { ca gly a 205 B22.94}41.549 20.495 43.707 { ca cys a 206 B27.03}42.836 20.760 40.097 { ca gly a 207 B26.13}44.212 17.273 39.350 { ca asp a 208 B27.09}47.907 17.504 40.201 { ca pro a 209 B22.23}48.491 17.473 43.960 { ca his a 210 B21.78}52.183 18.217 44.276 { ca gly a 211 B20.78}54.315 20.556 46.374 { ca val a 212 B21.09}53.360 22.640 49.411 { ca ser a 213 B20.99}49.967 24.381 49.603 { ca met a 214 B21.78}47.168 25.414 51.989 { ca phe a 215 B20.59}43.633 24.104 51.255 { ca pro a 216 B20.31}39.919 24.532 51.934 { ca asn a 217 B20.45}38.107 22.647 54.691 { ca thr a 218 B18.84}34.572 21.295 54.948 { ca leu a 219 B23.50}33.034 24.055 57.059 { ca his a 220 B26.41}30.555 26.905 56.770 { ca glu a 221 B30.64}31.645 30.553 56.736 { ca asp a 222 B29.99}30.826 30.721 60.471 { ca gln a 223 B24.96}33.286 27.792 60.869 { ca val a 224 B22.92}30.741 25.086 61.711 { ca arg a 225 B20.24}31.640 21.608 60.467 { ca ser a 226 B19.94}30.069 20.628 57.146 { ca asp a 227 B18.82}29.345 17.022 58.143 { ca ala a 228 B18.98}27.223 14.874 55.812 { ca ala a 229 B19.83}24.091 15.034 58.006 { ca arg a 230 B21.91}24.295 18.854 58.146 { ca glu a 231 B23.00}24.828 19.144 54.368 { ca trp a 232 B23.21}22.513 16.443 52.965 { ca leu a 233 B24.97}20.011 15.468 55.676 { ca leu a 234 B27.96}19.279 18.691 57.586 { ca pro a 235 B31.32}17.909 20.652 54.600 { ca asn a 236 B33.42}15.800 17.685 53.426 { ca tyr a 237 B36.17}14.593 15.927 56.579 { ca gln a 238 B38.93}10.913 16.894 56.187 { ca arg a 239 B35.64}10.558 14.966 52.903 { ca pro a 240 B35.22}7.905 12.357 53.693 { ca asn a 241 B31.96}9.570 9.728 51.478 { ca leu a 242 B31.27}12.860 9.964 53.404 { ca gln a 243 B32.70}12.836 7.896 56.616 { ca val a 244 B27.24}15.744 7.541 59.063 { ca leu a 245 B25.04}15.939 4.893 61.783 { ca thr a 246 B24.01}18.648 5.381 64.422 { ca gly a 247 B20.37}20.315 3.283 67.105 { ca gln a 248 B19.29}20.055 -0.066 65.310 { ca tyr a 249 B18.50}22.575 -2.276 63.489 { ca val a 250 B16.03}21.903 -3.888 60.113 { ca gly a 251 B14.61}22.993 -7.517 60.653 { ca lys a 252 B19.74}22.459 -9.179 57.263 { ca val a 253 B20.12}20.771 -9.055 53.863 { ca leu a 254 B26.37}17.609 -11.159 53.344 { ca leu a 255 B32.34}17.971 -13.185 50.150 { ca ser a 256 B43.53}15.367 -15.159 48.238 { ca gln a 257 B53.24}16.759 -18.199 46.407 { ca asn a 258 B58.06}13.582 -19.264 44.571 { ca gly a 259 B57.82}14.756 -18.140 41.122 { ca thr a 260 B55.59}17.848 -18.566 38.922 { ca thr a 261 B47.02}19.684 -15.732 40.648 { ca pro a 262 B37.46}19.523 -14.806 44.322 { ca arg a 263 B30.35}17.659 -11.565 45.042 { ca ala a 264 B25.08}17.973 -9.168 47.991 { ca val a 265 B24.70}14.495 -8.546 49.426 { ca gly a 266 B23.67}15.244 -6.728 52.684 { ca val a 267 B21.03}17.477 -6.623 55.751 { ca glu a 268 B23.30}17.471 -7.945 59.309 { ca phe a 269 B23.41}18.381 -5.311 61.935 { ca gly a 270 B23.01}18.765 -5.218 65.705 { ca thr a 271 B23.83}20.998 -4.761 68.730 { ca his a 272 B26.30}21.383 -8.368 69.873 { ca lys a 273 B35.50}20.789 -11.957 68.717 { ca gly a 274 B39.47}17.558 -12.132 70.744 { ca asn a 275 B39.37}16.271 -8.746 69.514 { ca thr a 276 B36.40}16.084 -8.620 65.709 { ca his a 277 B37.30}13.548 -7.248 63.195 { ca asn a 278 B33.61}13.029 -7.432 59.402 { ca val a 279 B30.84}12.253 -4.672 56.836 { ca tyr a 280 B29.27}11.733 -5.245 53.111 { ca ala a 281 B27.40}12.816 -3.531 49.914 { ca lys a 282 B28.58}10.783 -3.372 46.698 { ca his a 283 B26.57}13.765 -2.313 44.609 { ca glu a 284 B22.13}17.230 -2.627 46.186 { ca val a 285 B17.50}19.282 -2.868 49.384 { ca leu a 286 B15.55}22.278 -0.497 49.375 { ca leu a 287 B15.09}25.199 -1.124 51.759 { ca ala a 288 B11.17}26.991 1.971 53.056 { ca ala a 289 B13.12}28.199 0.855 56.506 { ca gly a 290 B10.73}31.862 1.661 55.859 { ca ser a 291 B11.11}34.774 -0.344 54.503 { ca ala a 292 B11.64}35.233 -2.243 57.782 { ca val a 293 B10.88}31.548 -3.273 57.976 { ca ser a 294 B12.73}29.889 -3.637 54.544 { ca pro a 295 B13.03}31.963 -6.733 53.641 { ca thr a 296 B12.23}31.022 -8.366 56.973 { ca ile a 297 B13.36}27.315 -7.747 56.193 { ca leu a 298 B14.19}27.803 -9.655 52.939 { ca glu a 299 B15.53}29.601 -12.507 54.766 { ca tyr a 300 B16.42}26.903 -12.771 57.455 { ca ser a 301 B17.82}24.399 -13.111 54.580 { ca gly a 302 B18.62}26.205 -16.001 52.820 { ca ile a 303 B16.75}28.040 -13.891 50.208 { ca gly a 304 B18.49}31.788 -14.426 50.504 { ca met a 305 B22.26}34.374 -17.196 50.365 { ca lys a 306 B24.67}33.163 -20.702 51.150 { ca ser a 307 B25.26}36.416 -21.486 52.991 { ca ile a 308 B24.75}35.601 -18.654 55.437 { ca leu a 309 B24.72}31.845 -19.223 55.713 { ca glu a 310 B27.35}31.471 -23.022 55.827 { ca pro a 311 B26.27}33.380 -23.544 59.077 { ca leu a 312 B23.28}31.165 -20.880 60.713 { ca gly a 313 B21.58}27.949 -22.715 59.846 { ca ile a 314 B21.82}26.908 -20.244 57.125 { ca asp a 315 B25.39}25.625 -21.577 53.773 { ca thr a 316 B26.31}27.471 -19.905 50.900 { ca val a 317 B27.33}24.918 -18.494 48.442 { ca val a 318 B24.05}27.430 -16.620 46.282 { ca asp a 319 B22.84}31.178 -17.324 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35.661 { od2 asp a 578 }20.582 -0.798 37.518 @vectorlist {sc} color= bluetint nobutton master= {sidechain} { ca asp a 578 }P 17.561 1.196 36.794 { cb asp a 578 }18.492 0.373 37.688 { cg asp a 578 }19.661 -0.200 36.908 { od1 asp a 578 }19.681 -0.059 35.661 { cg asp a 578 }P 19.661 -0.200 36.908 { od2 asp a 578 }20.582 -0.798 37.518 @group {Bonds} nobutton @subgroup {} nobutton @vectorlist {Drawn} color= purple nobutton { ne2 his a 559 }P U 45.731 15.477 53.419 { oe2 glu a 412 }U 46.956 15.628 53.338 @group {1CF3} nobutton @subgroup {sidechain} nobutton master= {sidechain} @balllist {sc N} color= sky nobutton master= {sidechain} master= {atoms} radius= 0.200 { ne2 gln a 329 }46.599 6.775 51.412 @balllist {sc O} color= red nobutton master= {sidechain} master= {atoms} radius= 0.200 { oe1 gln a 329 }45.811 6.958 53.517 @vectorlist {sc} color= gold nobutton master= {sidechain} { ca gln a 329 }P 47.907 3.912 55.183 { cb gln a 329 }47.872 5.335 54.594 { cg gln a 329 }47.468 5.289 53.112 { cd gln a 329 }46.555 6.415 52.706 { oe1 gln a 329 }45.811 6.958 53.517 { cd gln a 329 }P 46.555 6.415 52.706 { ne2 gln a 329 }46.599 6.775 51.412 @group {new group} nobutton @subgroup {} nobutton @vectorlist {Drawn} color= purple nobutton { nd1 his a 516 }P U 43.695 8.243 53.575 { oe1 gln a 329 }U 45.213 7.321 53.534 @group {1CF3} nobutton @subgroup {sidechain} nobutton master= {sidechain} @balllist {sc N} color= sky nobutton master= {sidechain} master= {atoms} radius= 0.200 { ne1 trp a 426 }47.794 10.519 53.919 @vectorlist {sc} color= gold nobutton master= {sidechain} { ca phe a 414 }P 50.615 17.390 56.797 { cb phe a 414 }49.355 16.610 57.177 { cg phe a 414 }48.120 17.411 57.401 { cd1 phe a 414 }47.901 18.082 58.604 { ce1 phe a 414 }46.759 18.825 58.805 { cz phe a 414 }45.793 18.903 57.812 { cg phe a 414 }P 48.120 17.411 57.401 { cd2 phe a 414 }47.146 17.497 56.419 { ce2 phe a 414 }46.003 18.229 56.621 { cz phe a 414 }45.793 18.903 57.812 { ca trp a 426 }P 51.942 9.042 55.590 { cb trp a 426 }50.463 8.762 55.789 { cg trp a 426 }49.431 9.689 55.247 { cd1 trp a 426 }48.692 9.483 54.103 { ne1 trp a 426 }47.794 10.519 53.919 { ce2 trp a 426 }47.940 11.408 54.962 { ne1 trp a 426 }47.794 10.519 53.919 { cg trp a 426 }P 49.431 9.689 55.247 { cd2 trp a 426 }48.942 10.909 55.816 { ce2 trp a 426 }47.940 11.408 54.962 { cz2 trp a 426 }47.252 12.593 55.210 { ch2 trp a 426 }47.567 13.301 56.338 { cd2 trp a 426 }P 48.942 10.909 55.816 { ce3 trp a 426 }49.245 11.642 56.963 { cz3 trp a 426 }48.565 12.829 57.203 { ch2 trp a 426 }47.567 13.301 56.338 @group {1CF3} nobutton dominant @subgroup {sidechain} nobutton master= {sidechain} @balllist {sc O} color= red nobutton master= {sidechain} master= {atoms} radius= 0.200 { oh tyr a 515 }44.119 6.914 64.840 @vectorlist {sc} color= gold nobutton master= {sidechain} { ca tyr a 515 }P 41.770 5.473 59.022 { cb tyr a 515 }41.136 6.431 60.048 { cg tyr a 515 }41.885 6.548 61.372 { cd1 tyr a 515 }42.190 5.426 62.136 { ce1 tyr a 515 }42.927 5.554 63.303 { cz tyr a 515 }43.373 6.798 63.689 { oh tyr a 515 }44.119 6.914 64.840 { cg tyr a 515 }P 41.885 6.548 61.372 { cd2 tyr a 515 }42.338 7.795 61.781 { ce2 tyr a 515 }43.113 7.918 62.929 { cz tyr a 515 }43.373 6.798 63.689 @group {new group} nobutton @subgroup {} nobutton @vectorlist {Drawn} color= hotpink nobutton { oe1 glu a 40 }P U 18.615 15.482 42.787 { nh1 arg a 37 }U 20.155 15.678 42.453 { oe2 glu a 284 }P U 19.538 -0.709 41.462 { nh2 arg a 545 }U 20.508 -0.472 40.695 { od2 asp a 578 }P U 20.697 -0.685 38.199 { nh2 arg a 545 }U 20.933 -0.454 39.588 @text @kinemage 2 @caption The Binding of Flavin Adenine Dinucleotide (FAD) Important interactions of FAD with the surrounding enzyme are shown. Interacting side chains and backbone portions are shown in shades of blue. Each view shows a close-up of a particular portion of the FAD and its hydrogen bonds. @onewidth @viewid {FAD} @zoom 1.90 @zslab 200 @ztran 0 @center 32.223 5.003 53.404 @matrix 0.766341 0.185968 0.614931 0.256406 0.789107 -0.558180 -0.589050 0.585427 0.557041 @2viewid {Adenine} @2zoom 6.82 @2zslab 200 @2ztran 0 @2center 25.848 -2.590 61.048 @2matrix 0.787625 0.616134 0.005137 0.581372 -0.740374 -0.337420 -0.204093 0.268746 -0.941339 @3viewid {Ribose} @3zoom 8.70 @3zslab 250 @3ztran 0 @3center 25.507 5.462 62.486 @3matrix 0.990604 0.121455 -0.062877 -0.102873 0.964653 0.242615 0.090121 -0.233866 0.968083 @4viewid {Pyrophosphate} @4zoom 6.70 @4zslab 160 @4ztran 0 @4center 31.580 6.079 54.039 @4matrix -0.394903 0.567842 0.722225 0.891198 0.427750 0.150981 -0.223199 0.703268 -0.674980 @5viewid {Ribityl/Flavin} @5zoom 6.03 @5zslab 270 @5ztran 0 @5center 39.667 11.600 58.509 @5matrix 0.412405 0.703818 -0.578415 0.739138 0.112646 0.664068 0.532539 -0.701392 -0.473762 @master {mainchain} @master {hets} @master {sidechain} @master {atoms} @group {FAD Region} dominant @subgroup {mainchain} @vectorlist {mc} color= white master= {mainchain} { c tyr a 22 }P 15.630 1.337 50.370 { n ile a 23 }16.480 0.404 50.782 { ca ile a 23 }16.969 0.403 52.174 { c ile a 23 }18.464 0.729 52.114 { o ile a 23 }19.214 0.086 51.375 { c ile a 23 }P 18.464 0.729 52.114 { n ile a 24 }18.933 1.704 52.876 { ca ile a 24 }20.345 2.062 52.920 { c ile a 24 }20.913 1.671 54.292 { o ile a 24 }20.457 2.236 55.288 { c ile a 24 }P 20.913 1.671 54.292 { n ala a 25 }21.845 0.726 54.334 { ca ala a 25 }22.391 0.333 55.645 { c ala a 25 }23.564 1.240 55.963 { o ala a 25 }24.594 1.149 55.297 { c ala a 25 }P 23.564 1.240 55.963 { n gly a 26 }23.393 2.196 56.868 { ca gly a 26 }24.499 3.082 57.239 { c gly a 26 }24.184 4.521 56.852 { o gly a 26 }24.056 4.823 55.660 { c gly a 26 }P 24.184 4.521 56.852 { n gly a 27 }24.161 5.432 57.830 { ca gly a 27 }23.840 6.824 57.574 { c gly a 27 }25.067 7.718 57.519 { o gly a 27 }25.050 8.787 58.128 { c gly a 27 }P 25.067 7.718 57.519 { n gly a 28 }26.112 7.350 56.768 { ca gly a 28 }27.338 8.097 56.714 { c gly a 28 }27.482 9.004 55.490 { o gly a 28 }26.457 9.396 54.932 { c gly a 28 }P 27.482 9.004 55.490 { n leu a 29 }28.711 9.267 55.088 { ca leu a 29 }28.937 10.139 53.933 { c leu a 29 }28.192 9.593 52.707 { o leu a 29 }27.382 10.347 52.164 { c leu a 29 }P 28.192 9.593 52.707 { n thr a 30 }28.537 8.370 52.279 { ca thr a 30 } sky 27.889 7.902 51.040 { c thr a 30 } sky 26.420 7.588 51.228 { o thr a 30 } sky 25.608 7.915 50.341 { c thr a 30 }P 26.420 7.588 51.228 { n gly a 31 }26.030 7.000 52.358 { ca gly a 31 }24.620 6.689 52.578 { c gly a 31 }23.703 7.907 52.572 { o gly a 31 }22.657 7.866 51.902 { c gly a 31 }P 23.703 7.907 52.572 { n leu a 32 }24.040 8.998 53.259 { ca leu a 32 }23.180 10.170 53.282 { c leu a 32 }23.170 10.945 51.957 { o leu a 32 }22.150 11.532 51.582 { c leu a 32 }P 23.170 10.945 51.957 { n thr a 33 }24.287 10.957 51.248 { ca thr a 33 }24.358 11.640 49.958 { c thr a 33 }23.400 10.891 49.025 { o thr a 33 }22.525 11.517 48.435 { c thr a 33 }P 23.400 10.891 49.025 { n thr a 34 }23.488 9.576 49.014 { ca thr a 34 }22.576 8.744 48.225 { c thr a 34 }21.120 8.905 48.627 { o thr a 34 }20.253 9.095 47.752 { c val a 46 }P 13.979 5.318 52.717 { n leu a 47 }14.552 4.232 53.217 { ca leu a 47 }14.775 4.077 54.649 { c leu a 47 }16.277 3.935 54.926 { o leu a 47 }16.901 3.010 54.416 { c leu a 47 }P 16.277 3.935 54.926 { n val a 48 }16.826 4.801 55.764 { ca val a 48 }18.217 4.729 56.200 { c val a 48 }18.297 4.095 57.596 { o val a 48 }17.568 4.562 58.476 { c val a 48 }P 18.297 4.095 57.596 { n ile a 49 }19.128 3.084 57.819 { ca ile a 49 }19.251 2.463 59.150 { c ile a 49 }20.678 2.771 59.626 { o ile a 49 }21.626 2.382 58.948 { c ile a 49 }P 20.678 2.771 59.626 { n glu a 50 }20.813 3.547 60.691 { ca glu a 50 }22.097 3.993 61.211 { c glu a 50 }22.279 3.484 62.642 { o glu a 50 }21.310 3.567 63.397 { c glu a 50 }P 22.279 3.484 62.642 { n ser a 51 }23.476 2.986 62.947 { ca ser a 51 }23.733 2.474 64.290 { c ser a 51 }23.798 3.590 65.321 { o ser a 51 }23.362 3.389 66.462 { c ser a 51 }P 23.798 3.590 65.321 { n gly a 52 }24.260 4.775 64.938 { ca gly a 52 }24.371 5.903 65.847 { c gly a 52 }23.157 6.819 65.767 { o gly a 52 }22.090 6.389 65.331 { c gly a 52 }P 23.157 6.819 65.767 { n ser a 53 }23.306 8.064 66.169 { ca ser a 53 }22.206 9.011 66.151 { c ser a 53 }22.616 10.389 65.686 { o ser a 53 }23.672 10.589 65.071 { c ser a 53 }P 22.616 10.389 65.686 { n tyr a 54 }21.766 11.392 65.924 { ca tyr a 54 }22.033 12.754 65.483 { c tyr a 54 }23.020 13.456 66.408 { o tyr a 54 }22.778 13.496 67.622 { c ile a 94 }P 39.362 3.206 64.220 { n arg a 95 }39.682 4.482 64.281 { ca arg a 95 }38.684 5.507 64.535 { c arg a 95 }37.686 5.547 63.373 { o arg a 95 }38.108 5.488 62.214 { c arg a 95 }P 37.686 5.547 63.373 { n ser a 96 }36.417 5.624 63.692 { ca ser a 96 }35.377 5.638 62.661 { c ser a 96 }34.122 6.249 63.256 { o ser a 96 }33.695 5.789 64.327 { c ser a 96 }P 34.122 6.249 63.256 { n gly a 97 }33.527 7.257 62.614 { ca gly a 97 }32.338 7.888 63.169 { c gly a 97 }31.114 7.007 63.252 { o gly a 97 }30.738 6.223 62.355 { c gly a 97 }P 31.114 7.007 63.252 { n asn a 98 }30.408 7.167 64.379 { ca asn a 98 }29.203 6.439 64.718 { c asn a 98 }28.105 7.467 64.981 { o asn a 98 }28.054 8.116 66.028 { c asn a 98 }P 28.105 7.467 64.981 { n gly a 99 }27.247 7.643 63.975 { ca gly a 99 }26.161 8.608 64.014 { c gly a 99 }25.850 9.106 62.596 { o gly a 99 }26.583 8.796 61.651 { c gly a 99 }P 25.850 9.106 62.596 { n leu a 100 }24.767 9.874 62.488 { ca leu a 100 }24.393 10.404 61.166 { c leu a 100 }25.496 11.320 60.658 { o leu a 100 }25.929 12.325 61.239 { c leu a 100 }P 25.496 11.320 60.658 { n gly a 101 }26.009 10.936 59.469 { ca gly a 101 }27.157 11.656 58.913 { c gly a 101 }28.410 10.803 59.000 { o gly a 101 }29.427 11.160 58.416 { c gly a 101 }P 28.410 10.803 59.000 { n gly a 102 }28.364 9.688 59.719 { ca gly a 102 }29.506 8.788 59.823 { c gly a 102 }30.813 9.429 60.193 { o gly a 102 }30.891 10.339 61.038 { c gly a 102 }P 30.813 9.429 60.193 { n ser a 103 }31.886 9.045 59.473 { ca ser a 103 }33.206 9.624 59.751 { c ser a 103 }33.394 11.072 59.368 { o ser a 103 }34.376 11.695 59.821 { c ser a 103 }P 33.394 11.072 59.368 { n thr a 104 }32.408 11.702 58.698 { ca thr a 104 }32.516 13.147 58.498 { c thr a 104 }32.233 13.866 59.827 { o thr a 104 }32.539 15.047 59.913 { c thr a 104 }P 32.233 13.866 59.827 { n leu a 105 }31.624 13.225 60.823 { ca leu a 105 }31.452 13.865 62.125 { c leu a 105 }32.744 14.076 62.903 { o leu a 105 }32.861 14.964 63.754 { c leu a 105 }P 32.744 14.076 62.903 { n val a 106 }33.715 13.177 62.713 { ca val a 106 }34.946 13.188 63.497 { c val a 106 }36.219 13.451 62.715 { o val a 106 }37.303 13.319 63.299 { c val a 106 }P 36.219 13.451 62.715 { n asn a 107 }36.145 13.795 61.426 { ca asn a 107 } sky 37.392 13.933 60.653 { c asn a 107 } sky 37.988 15.324 60.681 { o asn a 107 } sky 37.476 16.244 61.306 { c asn a 107 }P 37.988 15.324 60.681 { n gly a 108 } white 39.113 15.504 59.993 { ca gly a 108 } sky 39.868 16.730 59.959 { c gly a 108 } sky 39.333 17.786 59.003 { o gly a 108 } sky 39.862 18.901 58.973 { c gly a 108 }P 39.333 17.786 59.003 { n gly a 109 }38.383 17.427 58.149 { ca gly a 109 }37.805 18.335 57.179 { c gly a 109 }38.663 18.689 55.980 { o gly a 109 }38.226 19.551 55.202 { c gly a 109 }P 38.663 18.689 55.980 { n thr a 110 }39.815 18.111 55.749 { ca thr a 110 } sky 40.676 18.481 54.616 { c thr a 110 } sky 40.007 18.139 53.284 { o thr a 110 } sky 39.540 17.020 53.101 { c thr a 110 }P 40.007 18.139 53.284 { n trp a 111 }40.044 19.098 52.364 { ca trp a 111 }39.272 18.952 51.115 { c trp a 111 }40.196 19.077 49.920 { o trp a 111 }40.655 20.201 49.653 { c trp a 111 }P 40.196 19.077 49.920 { n thr a 112 }40.656 17.958 49.373 { ca thr a 112 }41.584 17.979 48.253 { c thr a 112 }41.204 16.847 47.276 { o thr a 112 }40.373 16.011 47.639 { c thr a 112 }P 41.204 16.847 47.276 { n arg a 113 }41.796 16.869 46.078 { ca arg a 113 }41.506 15.864 45.056 { c arg a 113 }42.759 15.158 44.582 { o arg a 113 }43.887 15.621 44.783 { c arg a 113 }P 42.759 15.158 44.582 { n pro a 114 }42.626 13.934 44.057 { ca pro a 114 }43.743 13.128 43.609 { c pro a 114 }44.346 13.581 42.282 { o pro a 114 }43.934 14.604 41.757 { c pro a 114 }P 44.346 13.581 42.282 { n his a 115 }45.324 12.833 41.795 { ca his a 115 }45.975 13.107 40.520 { c his a 115 }45.069 12.542 39.421 { o his a 115 }44.507 11.442 39.557 { c leu a 242 }P 12.677 9.590 54.874 { n gln a 243 }12.975 8.357 55.242 { ca gln a 243 }12.836 7.896 56.616 { c gln a 243 }14.189 7.486 57.191 { o gln a 243 }14.966 6.831 56.490 { c gln a 243 }P 14.189 7.486 57.191 { n val a 244 }14.468 7.871 58.432 { ca val a 244 }15.744 7.541 59.063 { c val a 244 }15.519 6.880 60.428 { o val a 244 }14.965 7.511 61.337 { c val a 244 }P 15.519 6.880 60.428 { n leu a 245 }15.977 5.653 60.546 { ca leu a 245 }15.939 4.893 61.783 { c leu a 245 }17.324 4.922 62.442 { o leu a 245 }18.344 4.636 61.798 { c leu a 245 }P 17.324 4.922 62.442 { n thr a 246 }17.377 5.302 63.719 { ca thr a 246 }18.648 5.381 64.422 { c thr a 246 }18.766 4.392 65.572 { o thr a 246 }17.795 3.826 66.061 { c thr a 246 }P 18.766 4.392 65.572 { n gly a 247 }20.013 4.136 65.974 { ca gly a 247 }20.315 3.283 67.105 { c gly a 247 }20.189 1.809 66.864 { o gly a 247 }20.061 1.026 67.814 { c gly a 247 }P 20.189 1.809 66.864 { n gln a 248 }20.216 1.351 65.599 { ca gln a 248 }20.055 -0.066 65.310 { c gln a 248 }21.120 -0.519 64.301 { o gln a 248 }21.489 0.282 63.452 { c gln a 248 }P 21.120 -0.519 64.301 { n tyr a 249 }21.599 -1.743 64.402 { ca tyr a 249 }22.575 -2.276 63.489 { c tyr a 249 }21.905 -3.143 62.413 { o tyr a 249 }21.152 -4.059 62.738 { c tyr a 249 }P 21.905 -3.143 62.413 { n val a 250 }22.294 -2.915 61.154 { ca val a 250 } sky 21.903 -3.888 60.113 { c val a 250 } sky 22.770 -5.124 60.259 { o val a 250 } sky 24.003 -5.002 60.205 { c val a 250 }P 22.770 -5.124 60.259 { n gly a 251 }22.211 -6.313 60.460 { ca gly a 251 }22.993 -7.517 60.653 { c gly a 251 }23.245 -8.283 59.352 { o gly a 251 }24.363 -8.736 59.130 { c glu a 284 }P 17.686 -2.285 47.611 { n val a 285 }18.647 -3.069 48.089 { ca val a 285 }19.282 -2.868 49.384 { c val a 285 }20.669 -2.297 49.078 { o val a 285 }21.389 -2.869 48.255 { c val a 285 }P 20.669 -2.297 49.078 { n leu a 286 }20.999 -1.154 49.641 { ca leu a 286 }22.278 -0.497 49.375 { c leu a 286 }23.157 -0.496 50.637 { o leu a 286 }22.737 0.087 51.635 { c leu a 286 }P 23.157 -0.496 50.637 { n leu a 287 }24.330 -1.093 50.581 { ca leu a 287 }25.199 -1.124 51.759 { c leu a 287 }26.136 0.058 51.788 { o leu a 287 }26.906 0.253 50.839 { c leu a 287 }P 26.136 0.058 51.788 { n ala a 288 }26.117 0.817 52.900 { ca ala a 288 }26.991 1.971 53.056 { c ala a 288 }27.476 2.092 54.525 { o ala a 288 }27.575 3.182 55.070 { c ala a 288 }P 27.476 2.092 54.525 { n ala a 289 }27.795 0.936 55.093 { ca ala a 289 }28.199 0.855 56.506 { c ala a 289 }29.664 1.110 56.774 { o ala a 289 }30.134 1.091 57.932 { c ala a 289 }P 29.664 1.110 56.774 { n gly a 290 }30.452 1.341 55.732 { ca gly a 290 }31.862 1.661 55.859 { c gly a 290 }32.650 0.441 55.398 { o gly a 290 }32.153 -0.683 55.440 { c gly a 290 }P 32.650 0.441 55.398 { n ser a 291 }33.891 0.692 55.014 { ca ser a 291 }34.774 -0.344 54.503 { c ser a 291 }35.103 -1.426 55.513 { o ser a 291 }35.412 -2.536 55.079 { c ser a 291 }P 35.103 -1.426 55.513 { n ala a 292 }35.005 -1.165 56.818 { ca ala a 292 }35.233 -2.243 57.782 { c ala a 292 }33.992 -3.082 58.018 { o ala a 292 }34.085 -4.170 58.608 { c ala a 292 }P 33.992 -3.082 58.018 { n val a 293 }32.803 -2.618 57.639 { ca val a 293 }31.548 -3.273 57.976 { c val a 293 }30.745 -3.855 56.819 { o val a 293 }30.293 -4.999 56.881 { c val a 293 }P 30.745 -3.855 56.819 { n ser a 294 }30.584 -3.094 55.725 { ca ser a 294 }29.889 -3.637 54.544 { c ser a 294 }30.299 -5.022 54.122 { o ser a 294 }29.400 -5.866 53.914 { c tyr a 515 }P 41.171 5.737 57.633 { n his a 516 }41.867 5.319 56.584 { ca his a 516 }41.405 5.535 55.212 { c his a 516 }41.247 4.222 54.459 { o his a 516 }41.659 4.152 53.294 { c his a 516 }P 41.247 4.222 54.459 { n gly a 517 }40.729 3.195 55.128 { ca gly a 517 }40.707 1.876 54.525 { c gly a 517 }39.735 1.817 53.339 { o gly a 517 }38.587 2.245 53.471 { c gly a 517 }P 39.735 1.817 53.339 { n val a 518 }40.225 1.275 52.228 { ca val a 518 }39.360 1.098 51.054 { c val a 518 }39.573 -0.309 50.496 { o val a 518 }40.552 -0.988 50.804 { c val a 518 }P 39.573 -0.309 50.496 { n gly a 519 }38.670 -0.743 49.594 { ca gly a 519 }38.924 -1.952 48.856 { c gly a 519 }38.355 -3.277 49.189 { o gly a 519 }38.610 -4.232 48.436 { c gly a 519 }P 38.355 -3.277 49.189 { n thr a 520 }37.631 -3.400 50.322 { ca thr a 520 }37.139 -4.695 50.782 { c thr a 520 }35.973 -5.231 49.987 { o thr a 520 }35.599 -6.383 50.165 { c thr a 520 }P 35.973 -5.231 49.987 { n cys a 521 }35.315 -4.433 49.176 { ca cys a 521 }34.360 -4.932 48.163 { c cys a 521 }34.760 -4.233 46.850 { o cys a 521 }33.995 -3.415 46.370 { c cys a 521 }P 34.760 -4.233 46.850 { n ser a 522 }35.936 -4.489 46.351 { ca ser a 522 }36.541 -3.825 45.209 { c ser a 522 }35.720 -3.804 43.912 { o ser a 522 }35.196 -4.835 43.507 { c ser a 522 }P 35.720 -3.804 43.912 { n met a 523 }35.604 -2.605 43.361 { ca met a 523 }34.920 -2.406 42.077 { c met a 523 }35.911 -2.696 40.951 { o met a 523 }36.811 -1.918 40.669 { c leu a 544 }P 23.298 -4.623 45.588 { n arg a 545 }23.591 -3.460 46.149 { ca arg a 545 }24.782 -2.716 45.820 { c arg a 545 }25.603 -2.393 47.080 { o arg a 545 }25.035 -2.326 48.167 { c arg a 545 }P 25.603 -2.393 47.080 { n val a 546 }26.875 -2.126 46.874 { ca val a 546 }27.756 -1.633 47.941 { c val a 546 }28.295 -0.297 47.442 { o val a 546 }28.852 -0.225 46.343 { c val a 546 }P 28.295 -0.297 47.442 { n ile a 547 }27.980 0.803 48.141 { ca ile a 547 }28.251 2.137 47.616 { c ile a 547 }29.236 2.989 48.381 { o ile a 547 }29.346 4.206 48.136 { c ile a 547 }P 29.236 2.989 48.381 { n asp a 548 }29.965 2.401 49.333 { ca asp a 548 }30.778 3.251 50.215 { c asp a 548 }32.249 3.093 49.942 { o asp a 548 }32.667 2.521 48.938 { c asp a 548 }P 32.249 3.093 49.942 { n gly a 549 }33.119 3.431 50.905 { ca gly a 549 } sky 34.545 3.288 50.816 { c gly a 549 } sky 35.059 1.890 50.613 { o gly a 549 } sky 36.254 1.697 50.345 { c gly a 549 }P 35.059 1.890 50.613 { n ser a 550 }34.245 0.844 50.677 { ca ser a 550 }34.671 -0.501 50.409 { c ser a 550 }34.993 -0.656 48.910 { o ser a 550 }35.762 -1.562 48.625 { c ser a 550 }P 34.993 -0.656 48.910 { n ile a 551 }34.403 0.136 48.012 { ca ile a 551 }34.573 -0.146 46.585 { c ile a 551 }35.721 0.383 45.764 { o ile a 551 }36.116 -0.329 44.822 { c ile a 551 }P 35.721 0.383 45.764 { n pro a 552 }36.345 1.503 46.066 { ca pro a 552 }37.532 1.955 45.370 { c pro a 552 }38.563 0.853 45.401 { o pro a 552 }38.944 0.287 46.446 { c pro a 552 }P 38.563 0.853 45.401 { n pro a 553 }39.059 0.486 44.211 { ca pro a 553 }40.015 -0.580 44.051 { c pro a 553 }41.427 -0.176 44.401 { o pro a 553 }42.297 -1.024 44.559 { c pro a 553 }P 41.427 -0.176 44.401 { n thr a 554 }41.736 1.106 44.476 { ca thr a 554 }43.052 1.603 44.762 { c thr a 554 }42.978 2.738 45.791 { o thr a 554 }41.922 3.314 45.949 { c thr a 554 }P 42.978 2.738 45.791 { n gln a 555 }44.148 3.094 46.295 { ca gln a 555 }44.274 4.291 47.128 { c gln a 555 }44.413 5.460 46.148 { o gln a 555 }44.431 5.217 44.923 { c gln a 555 }P 44.413 5.460 46.148 { n met a 556 }44.537 6.663 46.659 { ca met a 556 }44.588 7.866 45.843 { c met a 556 }45.579 8.844 46.488 { o met a 556 }45.616 8.857 47.726 { c met a 556 }P 45.579 8.844 46.488 { n ser a 557 }46.080 9.813 45.721 { ca ser a 557 }46.977 10.790 46.359 { c ser a 557 }46.197 12.014 46.806 { o ser a 557 }46.342 13.102 46.249 { c ser a 557 }P 46.197 12.014 46.806 { n ser a 558 }45.327 11.826 47.801 { ca ser a 558 }44.542 12.882 48.377 { c ser a 558 }43.689 12.433 49.571 { o ser a 558 }43.670 11.269 49.946 { c ser a 558 }P 43.689 12.433 49.571 { n his a 559 }42.974 13.391 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570 }27.396 9.785 41.408 { ca lys a 570 }27.440 8.985 40.179 { c lys a 570 }26.693 7.677 40.330 { o lys a 570 }25.937 7.269 39.433 { c lys a 570 }P 26.693 7.677 40.330 { n ile a 571 }26.845 6.974 41.478 { ca ile a 571 }26.089 5.743 41.678 { c ile a 571 }24.606 6.018 41.813 { o ile a 571 }23.785 5.220 41.336 { c ile a 571 }P 24.606 6.018 41.813 { n ser a 572 }24.205 7.104 42.471 { ca ser a 572 }22.780 7.416 42.600 { c ser a 572 }22.146 7.628 41.212 { o ser a 572 }21.012 7.203 41.007 { c ser a 572 }P 22.146 7.628 41.212 { n asp a 573 }22.832 8.287 40.295 { ca asp a 573 }22.279 8.409 38.930 { c asp a 573 }22.025 7.041 38.301 { o asp a 573 }20.982 6.831 37.676 @subgroup {het groups} master= {hets} @vectorlist {het} color= pink master= {hets} {ap fad a 600 }P 31.180 6.412 56.833 {"}31.180 6.412 56.833 {ao1 fad a 600 }32.059 5.850 57.911 {ap fad a 600 }P 31.180 6.412 56.833 {ao2 fad a 600 }31.104 7.755 56.666 {ap fad a 600 }P 31.180 6.412 56.833 {ao5* fad a 600 }29.817 5.933 57.267 {ac5* fad 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}36.536 8.050 54.251 { c3* fad a 600 }P 35.792 8.702 55.254 { c4* fad a 600 }34.348 8.791 54.793 { o4* fad a 600 }33.509 9.357 55.818 { c4* fad a 600 }P 34.348 8.791 54.793 { c5* fad a 600 }33.938 7.336 54.503 { o5* fad a 600 }32.430 7.333 54.027 { p fad a 600 }31.580 6.079 54.039 { o1p fad a 600 }30.189 6.457 53.517 { p fad a 600 }P 31.580 6.079 54.039 { o2p fad a 600 }32.223 5.003 53.404 {ap fad a 600 }P 31.180 6.412 56.833 { o3p fad a 600 }31.548 5.607 55.486 {ac2* fad a 600 }P 28.409 4.041 60.906 {ac1* fad a 600 }27.292 3.265 60.242 {ac5 fad a 600 }P 26.590 -0.245 60.793 {ac4 fad a 600 }26.115 1.035 60.487 {an3 fad a 600 }P 24.845 1.404 60.185 {ac4 fad a 600 }26.115 1.035 60.487 { c9 fad a 600 }P 38.300 9.584 58.517 { c9a fad a 600 }38.893 10.647 57.838 { c4a fad a 600 }P 39.716 13.035 56.719 { c10 fad a 600 }38.957 12.081 55.928 { n10 fad a 600 }P 38.552 10.944 56.492 { c10 fad a 600 }38.957 12.081 55.928 { p fad a 600 }P 31.580 6.079 54.039 { o3p fad a 600 }31.548 5.607 55.486 @group {1CF3} nobutton @subgroup {sidechain} nobutton master= {sidechain} @vectorlist {sc} color= bluetint nobutton master= {sidechain} { ca val a 250 }P 21.903 -3.888 60.113 { cb val a 250 }22.068 -3.270 58.711 { cg1 val a 250 }21.940 -4.376 57.664 { cb val a 250 }P 22.068 -3.270 58.711 { cg2 val a 250 }21.039 -2.173 58.522 @group {new group} nobutton @subgroup {} nobutton @vectorlist {Drawn} color= pinktint nobutton { o val a 250 }P U 24.413 -4.466 60.392 {an6 fad a 600 }U 25.438 -3.126 60.861 { n val a 250 }P U 22.783 -2.439 60.997 {an1 fad a 600 }U 23.859 -1.389 60.653 { oe1 glu a 50 }P U 25.608 5.779 60.318 {ao3* fad a 600 }U 26.949 6.130 60.247 { oe2 glu a 50 }P U 26.145 5.187 62.401 {ao2* fad a 600 }U 27.297 4.689 62.247 { n thr a 30 }P U 28.948 7.894 52.587 { o1p fad a 600 }U 29.778 6.933 53.209 { og1 thr a 30 }P U 28.975 5.811 51.865 { o1p fad a 600 }U 29.794 6.246 52.979 { n gly a 549 }P U 32.916 3.788 51.472 { o2p fad a 600 }U 32.426 4.646 52.837 { nd2 asn a 107 }P U 35.812 12.921 57.102 { o2* fad a 600 }U 35.759 11.310 56.793 { n thr a 110 }P U 39.980 17.471 55.979 { o4 fad a 600 }U 40.396 15.851 56.561 { o thr a 110 }P U 39.545 16.458 53.518 { n3 fad a 600 }U 39.556 15.170 54.474 { n met a 561 }P U 37.573 12.934 51.295 { o2 fad a 600 }U 38.297 13.588 52.479 { n gly a 108 }P U 39.400 15.446 59.357 { o4 fad a 600 }U 40.274 15.269 57.427 @group {1CF3} nobutton @subgroup {sidechain} nobutton master= {sidechain} @balllist {sc O} color= red nobutton master= {sidechain} master= {atoms} radius= 0.200 { oe1 glu a 50 }24.932 5.601 60.353 { oe2 glu a 50 }25.507 5.462 62.486 @vectorlist {sc} color= bluetint nobutton master= {sidechain} { ca glu a 50 }P 22.097 3.993 61.211 { cb glu a 50 }22.179 5.514 61.180 { cg glu a 50 }23.288 6.194 61.967 { cd glu a 50 }24.677 5.720 61.578 { oe1 glu a 50 }24.932 5.601 60.353 { cd glu a 50 }P 24.677 5.720 61.578 { oe2 glu a 50 }25.507 5.462 62.486 @group {1CF3} nobutton @subgroup {sidechain} nobutton master= {sidechain} @balllist 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@subgroup {sidechain} nobutton master= {sidechain} @balllist {sc O} color= red nobutton master= {sidechain} master= {atoms} radius= 0.200 { og1 thr a 110 }42.446 17.837 56.096 @balllist {sc S} color= yellow nobutton master= {sidechain} master= {atoms} radius= 0.200 { sd met a 561 }34.781 14.937 54.271 @vectorlist {sc} color= bluetint nobutton master= {sidechain} { ca thr a 110 }P 40.676 18.481 54.616 { cb thr a 110 }42.013 17.751 54.721 { og1 thr a 110 }42.446 17.837 56.096 { cb thr a 110 }P 42.013 17.751 54.721 { cg2 thr a 110 }43.087 18.297 53.797 { ca met a 561 }P 35.874 13.134 50.707 { cb met a 561 }35.666 14.202 51.782 { cg met a 561 }35.375 13.606 53.183 { sd met a 561 }34.781 14.937 54.271 { ce met a 561 }36.246 15.924 54.464 @group {1CF3} nobutton @subgroup {het groups} nobutton master= {hets} @balllist {het N} color= sky nobutton master= {hets} master= {atoms} radius= 0.200 { n2 nag a 601 }57.100 -9.981 66.678 { n2 nag a 602 }57.432 -17.627 66.837 { n2 nag a 603 }45.357 28.626 36.437 { n2 nag a 604 }62.741 11.420 38.325 { n2 nag a 605 }42.330 -16.332 37.770 {an9 fad a 600 }27.251 1.844 60.537 {an7 fad a 600 }27.944 -0.215 61.025 {an6 fad a 600 }25.848 -2.590 61.048 {an1 fad a 600 }24.348 -0.913 60.496 {an3 fad a 600 }24.845 1.404 60.185 { n1 fad a 600 }38.571 12.434 54.684 { n3 fad a 600 }39.561 14.608 54.891 { n5 fad a 600 }40.081 12.792 57.982 { n10 fad a 600 }38.552 10.944 56.492 @balllist {het O} color= red nobutton master= {hets} master= {atoms} radius= 0.200 { o3 nag a 601 }58.986 -12.168 66.774 { o4 nag a 601 }57.767 -14.799 67.166 { o5 nag a 601 }55.466 -12.504 68.850 { o6 nag a 601 }54.426 -14.840 69.861 { o7 nag a 601 }58.127 -8.691 68.131 { o3 nag a 602 }59.829 -19.075 67.108 { o4 nag a 602 }61.689 -18.041 69.153 { o5 nag a 602 }59.873 -15.085 68.038 { o6 nag a 602 }62.084 -13.987 69.689 { o7 nag a 602 }56.796 -18.141 68.890 { o2 man a 613 }63.209 -19.552 70.879 { o3 man a 613 }65.860 -19.832 70.526 { o4 man a 613 }66.072 -21.103 67.928 { o5 man a 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