@text Biotin Carboxylase of E. coli Amanda DuBose AASU Dec. 11, 2000 PDB name 1BNC, and 1DV2 (bound to ATP) Biotin carboxylase is a component of Acetyl-Co A carboxylase which catalyses fatty acid synthesis in plants, animals and bacteria. Shown here is the biotin carboxylase of Esherichia coli. Biotin carboxylase catalyzes the carboxylation of the carrier protein in the following reaction: ATP + biotin-carboxyl-carrier protein + CO2 = ADP + orthophosphate + carboxybiotin-carboxyl-carrier protein. Biotin carboxylase has two chains, shown in this kinemage in blue and green. The enzyme has an active site at Arg 292 where it binds to phosphate ions. The enzyme also binds to ATP, which inhibits its active site. coordinates from file: PDB1BNC.pdb HEADER FATTY ACID BIOSYNTHESIS 06-JUL-94 1BNC 1BNC 2 AUTHOR G.WALDROP,I.RAYMENT,H.M.HOLDEN 1BNC 10 @kinemage 1 @caption The first view is an overview of biotin carboxylase. Use the animate button to toggle between a backbone and a ribbons structure of chain A. Biotin carboxylase has three structural domains. At the N-terminal, there is a dinuleotide binding motif which contains 5 parallel beta sheets with 3 alpha helices on either side. There is a B-domain coming from the middle of the subunit which folds into two alpha helical regions and three beta sheet strands. Then, the chain forms an antiparallel beta sheet of eight strands. The C-terminal domain seven alpha helices and an antiparallel three stranded beta sheet. Notice the two main chains and the phosphate ions shown in pink. View 2 shows the location of the bound phosphate ion of the A chain. Views 3,4 and 5 show closeups of the phosphate bound to Arg 292. Arg 292 is light blue and is hydrogen bonded to the phosphoryl oxygens. The hydrogen bonds are shown in green. coordinates from file: PDB1BNC.pdb coordinates from file: 1BNC.pdb coordinates from file: 1BNC.pdb @onewidth @viewid {Overview} @zoom 1.20 @zslab 200 @ztran 0 @center 38.403 94.705 70.743 @matrix 1.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 1.000000 @2viewid {PO4 location} @2zoom 1.20 @2zslab 200 @2ztran 0 @2center 38.421 94.705 70.743 @2matrix 0.720441 0.431854 0.542648 -0.221627 0.884795 -0.409902 -0.657150 0.175045 0.733153 @3viewid {Act site closeu} @3zoom 4.70 @3zslab 350 @3ztran 0 @3center 38.630 74.713 60.426 @3matrix 0.720441 0.431854 0.542648 -0.221627 0.884795 -0.409902 -0.657150 0.175045 0.733153 @4viewid {Act site 2} @4zoom 5.00 @4zslab 510 @4ztran 0 @4center 43.932 71.364 68.860 @4matrix -0.792517 0.475489 0.381873 -0.572503 -0.364311 -0.734518 -0.210134 -0.800743 0.560942 @5viewid {Act site 3} @5zoom 5.70 @5zslab 200 @5ztran 0 @5center 44.633 72.479 69.163 @5matrix 0.963542 -0.262644 0.051028 0.219899 0.668736 -0.710236 0.152415 0.695564 0.702111 @master {Calphas} @master {hets} @master {ribbon} @master {coil} @master {beta} @master {alpha} @master {mainchain} @master {atoms} @master {sidechain} @colorset {alpha} gold @colorset {beta} sea @colorset {coil} white @colorset {nucleic} pink @colorset {alpha} gold @colorset {beta} sea @colorset {coil} white @colorset {nucleic} pink @group {Chain A} animate @subgroup {mainchain} nobutton @vectorlist {Calphas} color= blue nobutton master= {Calphas} { ca met a 1 B35.39}P 20.349 75.847 60.326 {"}20.349 75.847 60.326 { ca leu a 2 B32.03}21.238 73.839 63.390 { ca asp a 3 B18.70}18.692 73.508 66.081 { ca lys a 4 B34.39}20.623 72.858 69.268 { ca ile a 5 B31.24}24.174 71.983 70.058 { ca val a 6 B28.03}26.293 70.592 72.745 { ca ile a 7 B26.46}29.281 72.572 73.800 { ca ala a 8 B32.07}31.696 69.800 74.756 { ca asn a 9 B18.19}34.336 71.895 76.475 { ca arg a 10 B9.98}34.670 74.512 79.184 { ca gly a 11 B24.70}35.900 77.948 80.151 { ca glu a 12 B15.25}36.976 80.506 77.626 { ca ile a 13 B13.22}36.347 78.697 74.403 { ca ala a 14 B25.00}32.958 77.436 75.653 { ca leu a 15 B14.75}31.926 81.006 76.211 { ca arg a 16 B15.57}33.272 81.986 72.708 { ca ile a 17 B17.63}31.191 79.263 71.180 { ca leu a 18 B14.92}28.007 80.153 73.069 { ca arg a 19 B13.94}28.127 83.758 71.856 { ca ala a 20 B8.36}28.497 82.526 68.320 { ca cys a 21 B8.54}25.548 80.164 68.669 { ca lys a 22 B24.40}23.343 82.881 70.109 { ca glu a 23 B14.67}24.160 85.152 67.283 { ca leu a 24 B21.97}23.087 82.362 64.916 { ca gly a 25 B40.96}19.877 81.536 66.683 { ca ile a 26 B15.39}21.213 78.182 67.829 { ca lys a 27 B18.39}20.088 76.618 71.159 { ca thr a 28 B28.32}22.821 75.698 73.615 { ca val a 29 B16.52}23.459 72.852 75.860 { ca ala a 30 B30.50}26.185 73.218 78.374 { ca val a 31 B12.11}27.818 70.087 79.705 { ca his a 32 B42.23}29.726 70.627 82.882 { ca ser a 33 B35.56}31.579 69.057 85.668 { ca ser a 34 B29.98}30.236 69.415 89.150 { ca ala a 35 B36.07}33.097 71.820 89.618 { ca asp a 36 B11.64}32.158 74.030 86.657 { ca arg a 37 B66.54}28.786 74.918 87.977 { ca asp a 38 B20.10}29.721 78.560 88.267 { ca leu a 39 B20.90}31.191 78.925 84.894 { ca lys a 40 B30.68}29.993 81.920 82.981 { ca his a 41 B21.23}28.795 80.133 79.852 { ca val a 42 B58.75}27.043 77.537 81.981 { ca leu a 43 B23.24}25.162 80.376 83.576 { ca leu a 44 B23.69}24.282 81.691 80.192 { ca ala a 45 B36.87}23.369 78.542 78.277 { ca asp a 46 B26.59}19.848 77.507 77.393 { ca glu a 47 B21.84}20.169 74.007 78.769 { ca thr a 48 B41.09}22.508 72.551 81.212 { ca val a 49 B11.78}23.775 69.084 82.035 { ca cys a 50 B54.09}26.321 68.096 84.769 { ca ile a 51 B66.70}28.136 65.177 83.206 { ca gly a 52 B13.56}30.226 63.967 86.029 { ca pro a 53 B26.26}32.521 64.758 88.885 { ca ala a 54 B26.69}35.332 67.344 88.891 { ca pro a 55 B46.94}38.237 65.429 87.238 { ca ser a 56 B31.50}38.379 65.695 83.512 { ca val a 57 B66.30}38.741 61.976 83.103 { ca lys a 58 B45.63}35.458 61.555 84.747 { ca ser a 59 B20.92}33.775 64.550 83.099 { ca tyr a 60 B34.70}35.148 66.272 80.040 { ca leu a 61 B47.20}36.713 63.063 78.899 { ca asn a 62 B23.82}33.736 60.865 79.421 { ca ile a 63 B22.64}32.400 60.079 76.002 { ca pro a 64 B30.82}29.418 58.154 77.143 { ca ala a 65 B15.30}28.281 60.897 79.490 { ca ile a 66 B60.15}28.796 63.332 76.788 { ca ile a 67 B36.54}26.801 61.424 74.183 { ca ser a 68 B24.80}23.808 60.733 76.215 { ca ala a 69 B33.54}23.579 64.446 77.230 { ca ala a 70 B24.41}23.011 65.001 73.590 { ca glu a 71 B45.81}20.333 62.317 73.409 { ca ile a 72 B39.48}18.223 63.711 76.297 { ca thr a 73 B39.38}18.265 67.380 75.237 { ca gly a 74 B27.62}17.681 66.464 71.742 { ca ala a 75 B29.41}20.824 68.118 70.403 { ca val a 76 B68.79}21.875 67.621 66.742 { ca ala a 77 B14.87}25.564 68.416 66.878 { ca ile a 78 B29.92}28.491 68.557 69.116 { ca his a 79 B31.69}31.238 71.131 69.399 { ca pro a 80 B13.22}34.424 69.733 70.763 { ca gly a 81 B24.84}36.149 73.076 71.164 { ca tyr a 82 B25.77}39.870 72.689 71.353 { ca gly a 83 B24.23}42.020 70.437 73.499 { ca phe a 84 B43.22}39.848 67.810 74.941 { ca leu a 85 B19.61}38.326 65.248 72.688 { ca ser a 86 B16.18}38.782 67.752 69.722 { ca glu a 87 B41.43}41.171 65.406 68.119 { ca asn a 88 B18.91}40.012 62.093 69.484 { ca ala a 89 B26.00}38.962 59.929 66.466 { ca asn a 90 B35.59}36.797 57.607 68.535 { ca phe a 91 B52.26}34.724 60.337 69.976 { ca ala a 92 B22.60}34.313 61.717 66.503 { ca glu a 93 B30.53}33.361 58.363 65.034 { ca gln a 94 B29.15}31.153 57.712 68.056 { ca val a 95 B25.85}29.296 60.945 67.843 { ca glu a 96 B30.51}28.455 60.204 64.301 { ca arg a 97 B50.45}27.657 56.573 64.833 { ca ser a 98 B21.52}25.428 57.938 67.557 { ca gly a 99 B31.61}23.304 60.056 65.277 { ca phe a 100 B37.22}24.956 63.430 65.972 { ca ile a 101 B34.59}26.943 65.905 64.040 { ca phe a 102 B37.28}30.574 66.327 64.805 { ca ile a 103 B28.64}31.727 69.965 64.493 { ca gly a 104 B32.01}35.104 69.206 63.033 { ca pro a 105 B30.47}36.646 66.942 60.360 { ca lys a 106 B15.74}35.953 63.258 59.526 { ca ala a 107 B22.92}37.366 60.729 62.076 { ca glu a 108 B26.96}39.224 59.145 59.167 { ca thr a 109 B19.69}40.881 62.457 58.592 { ca ile a 110 B22.53}41.589 62.903 62.141 { ca arg a 111 B15.18}43.312 59.532 62.187 { ca leu a 112 B36.06}45.235 60.447 59.146 { ca met a 113 B26.69}46.796 63.617 60.439 { ca gly a 114 B48.13}47.109 61.911 63.830 { ca asp a 115 B43.28}50.380 60.149 62.863 { ca lys a 116 B38.83}53.394 62.059 61.523 { ca val a 117 B100.00}54.144 59.463 58.904 { ca ser a 118 B42.56}50.853 59.414 57.157 { ca ala a 119 B32.95}50.564 63.095 57.757 { ca ile a 120 B37.28}53.896 63.909 56.256 { ca ala a 121 B34.23}53.421 61.406 53.550 { ca ala a 122 B33.18}50.061 62.957 52.811 { ca met a 123 B20.38}51.682 66.328 52.877 { ca lys a 124 B30.04}54.393 65.415 50.487 { ca lys a 125 B25.80}51.977 64.252 47.871 { ca ala a 126 B35.77}49.975 67.341 48.228 { ca gly a 127 B21.05}52.995 69.545 47.664 { ca val a 128 B14.42}53.304 70.736 51.209 { ca pro a 129 B17.94}56.902 71.639 52.076 { ca cys a 130 B33.67}58.359 69.352 54.633 { ca val a 131 B29.71}61.812 69.160 56.251 { ca pro a 132 B26.57}64.218 67.841 53.662 { ca gly a 133 B83.68}66.418 64.808 54.371 { ca ser a 134 B100.00}67.330 61.309 53.104 { ca asp a 135 B100.00}64.285 59.388 51.817 { ca gly a 136 B100.00}65.558 56.039 52.999 { ca pro a 137 B50.88}68.367 55.136 55.275 { ca leu a 138 B100.00}71.867 56.525 54.884 { ca gly a 139 B100.00}74.446 54.081 53.371 { ca asp a 140 B40.39}78.244 53.503 53.161 { ca asp a 141 B82.88}79.124 55.573 50.085 { ca met a 142 B43.78}80.540 58.930 51.251 { ca asp a 143 B39.13}80.325 60.398 47.759 { ca lys a 144 B100.00}76.546 60.290 47.621 { ca asn a 145 B42.00}76.042 60.852 51.339 { ca arg a 146 B49.44}77.816 64.061 50.949 { ca ala a 147 B39.81}75.964 64.793 47.788 { ca ile a 148 B29.02}72.781 64.457 49.883 { ca ala a 149 B36.46}74.010 66.999 52.391 { ca lys a 150 B76.70}74.694 69.464 49.517 { ca arg a 151 B33.64}71.223 68.838 48.208 { ca ile a 152 B31.05}69.637 69.623 51.572 { ca gly a 153 B48.26}72.181 72.180 52.779 { ca tyr a 154 B34.97}74.296 72.322 55.893 { ca pro a 155 B22.17}73.799 72.427 58.683 { ca val a 156 B28.85}72.247 69.018 59.086 { ca ile a 157 B41.79}71.883 66.300 61.617 { ca ile a 158 B61.76}72.133 62.536 61.464 { ca lys a 159 B40.96}69.249 60.776 63.253 { ca arg a 167 B100.00}P 76.356 61.804 74.370 {"}76.356 61.804 74.370 { ca gly a 168 B77.72}76.427 65.481 73.555 { ca met a 169 B100.00}74.086 66.021 70.617 { ca arg a 170 B100.00}75.856 66.666 67.267 { ca val a 171 B83.59}75.320 69.056 64.334 { ca val a 172 B42.50}77.293 68.737 61.111 { ca arg a 173 B21.79}78.234 72.080 59.579 { ca gly a 174 B34.63}80.223 70.874 56.619 { ca asp a 175 B59.85}81.753 67.930 54.722 { ca ala a 176 B28.12}84.871 67.518 56.844 { ca glu a 177 B26.92}82.719 66.401 59.763 { ca leu a 178 B37.21}80.146 64.345 57.750 { ca ala a 179 B100.00}81.788 61.008 57.530 { ca gln a 180 B45.70}82.729 60.928 61.228 { ca ser a 181 B32.56}79.476 61.948 62.640 { ca ile a 182 B100.00}77.793 59.411 60.390 { ca ser a 183 B100.00}79.901 56.501 61.342 { ca met a 184 B26.34}80.002 57.555 64.969 { ca thr a 185 B72.92}76.215 57.386 65.189 { ca arg a 186 B92.63}76.016 53.902 63.559 { ca ala a 187 B58.24}78.482 52.976 66.193 { ca glu a 188 B62.67}76.038 54.177 68.791 { ca ala a 189 B100.00}73.803 51.220 68.097 { ca lys a 190 B100.00}76.505 48.738 69.027 { ca met a 197 B100.00}P 70.807 52.048 60.430 {"}70.807 52.048 60.430 { ca val a 198 B53.88}70.973 55.887 60.115 { ca tyr a 199 B42.56}69.415 59.028 58.636 { ca met a 200 B52.69}70.234 62.615 57.825 { ca glu a 201 B37.58}67.823 65.463 58.455 { ca lys a 202 B40.26}68.185 69.114 57.562 { ca tyr a 203 B17.82}68.944 71.294 60.634 { ca leu a 204 B12.41}66.674 74.261 61.612 { ca glu a 205 B35.00}68.737 76.251 64.015 { ca asn a 206 B28.45}66.755 79.422 64.593 { ca pro a 207 B28.73}63.378 79.156 63.030 { ca arg a 208 B24.58}60.142 81.058 63.621 { ca his a 209 B15.85}56.772 79.453 64.151 { ca val a 210 B20.79}54.321 80.452 61.425 { ca glu a 211 B14.36}51.072 78.684 61.057 { ca ile a 212 B31.83}48.479 78.842 58.312 { ca gln a 213 B20.23}44.687 79.159 58.965 { ca val a 214 B30.86}42.238 77.293 56.751 { ca leu a 215 B25.11}38.527 76.571 56.217 { ca ala a 216 B13.57}37.052 73.782 54.254 { ca asp a 217 B49.58}33.456 72.872 53.445 { ca gly a 218 B59.28}33.734 69.158 52.733 { ca gln a 219 B57.79}32.319 69.826 49.298 { ca gly a 220 B25.38}35.554 70.887 47.529 { ca asn a 221 B31.38}36.005 74.445 48.766 { ca ala a 222 B26.53}38.880 75.521 50.966 { ca ile a 223 B28.99}40.337 78.852 51.886 { ca tyr a 224 B29.60}43.398 80.198 53.643 { ca leu a 225 B45.02}43.172 83.203 55.889 { ca ala a 226 B24.37}46.709 84.520 56.179 { ca glu a 227 B24.82}48.994 83.495 58.997 { ca arg a 228 B13.22}49.917 83.785 62.552 { ca asp a 229 B2.53}53.382 84.004 64.234 { ca cys a 230 B15.85}53.568 82.036 67.446 { ca ser a 231 B13.02}57.276 82.238 68.023 { ca met a 232 B8.67}56.995 83.534 71.641 { ca gln a 233 B44.18}56.880 80.105 73.512 { ca arg a 234 B17.86}57.805 78.782 76.879 { ca arg a 235 B33.28}58.337 75.091 77.234 { ca his a 236 B47.89}56.935 74.543 73.810 { ca gln a 237 B26.77}53.786 76.341 75.000 { ca lys a 238 B31.02}52.542 79.532 73.218 { ca val a 239 B31.84}52.586 82.793 75.120 { ca val a 240 B15.67}52.032 85.509 72.495 { ca glu a 241 B25.63}50.557 85.282 69.042 { ca glu a 242 B22.53}50.197 87.756 66.327 { ca ala a 243 B7.09}48.896 88.331 62.823 { ca pro a 244 B21.96}49.838 88.867 60.265 { ca ala a 245 B20.61}53.407 87.491 60.506 { ca pro a 246 B32.97}56.093 90.091 60.166 { ca gly a 247 B24.50}58.306 89.574 57.197 { ca ile a 248 B46.66}55.723 87.743 55.286 { ca thr a 249 B15.70}55.021 88.970 51.739 { ca pro a 250 B62.06}51.853 88.745 49.759 { ca glu a 251 B23.57}53.709 86.490 47.370 { ca leu a 252 B18.38}55.107 84.205 50.077 { ca arg a 253 B14.41}51.616 84.213 51.581 { ca arg a 254 B27.59}49.999 83.145 48.401 { ca tyr a 255 B31.37}52.449 80.398 47.790 { ca ile a 256 B31.06}52.042 78.475 51.010 { ca gly a 257 B26.76}48.398 79.318 51.388 { ca glu a 258 B23.43}47.483 77.797 48.081 { ca arg a 259 B39.34}49.524 74.755 48.808 { ca cys a 260 B9.89}47.658 74.469 52.052 { ca ala a 261 B23.46}44.215 74.745 50.540 { ca lys a 262 B14.07}45.025 72.161 47.850 { ca ala a 263 B27.26}46.103 69.705 50.535 { ca cys a 264 B34.61}42.844 70.321 52.199 { ca val a 265 B27.69}41.155 69.405 49.088 { ca asp a 266 B38.01}43.022 66.255 48.446 { ca ile a 267 B21.90}42.385 65.022 51.937 { ca gly a 268 B39.55}38.637 65.629 52.248 { ca tyr a 269 B40.78}39.220 68.109 55.081 { ca arg a 270 B28.33}36.125 69.642 56.570 { ca gly a 271 B42.34}35.894 72.510 59.060 { ca ala a 272 B22.23}38.630 74.713 60.426 { ca gly a 273 B13.35}42.176 73.549 60.621 { ca thr a 274 B38.23}45.690 74.805 61.023 { ca phe a 275 B29.86}48.999 73.998 59.422 { ca glu a 276 B28.79}51.996 74.638 61.535 { ca phe a 277 B36.05}55.254 75.275 59.855 { ca leu a 278 B25.39}58.786 76.150 60.696 { ca phe a 279 B17.53}60.044 79.258 58.911 { ca glu a 280 B39.97}63.688 79.868 58.318 { ca asn a 281 B53.48}65.433 81.805 55.572 { ca gly a 282 B22.90}62.308 82.383 53.562 { ca glu a 283 B23.85}61.416 78.747 53.618 { ca phe a 284 B30.49}58.561 76.726 55.097 { ca tyr a 285 B23.48}58.692 73.303 56.598 { ca phe a 286 B25.14}55.599 71.518 57.727 { ca ile a 287 B9.28}55.402 70.471 61.416 { ca glu a 288 B52.90}51.750 69.502 61.946 { ca met a 289 B19.81}48.131 70.020 61.389 { ca asn a 290 B20.94}45.750 70.754 64.228 { ca thr a 291 B27.80}42.424 69.320 63.168 { ca arg a 292 B32.36}40.395 71.750 65.195 { ca ile a 293 B34.55}40.101 75.512 65.902 { ca gln a 294 B13.19}42.916 77.017 67.938 { ca val a 295 B11.67}43.178 79.120 71.040 { ca glu a 296 B23.51}44.788 81.894 68.853 { ca his a 297 B33.81}42.007 82.256 66.338 { ca pro a 298 B24.67}40.862 85.776 67.381 { ca val a 299 B21.53}44.087 87.174 66.143 { ca thr a 300 B9.97}43.007 86.114 62.693 { ca glu a 301 B23.10}39.440 87.301 63.111 { ca met a 302 B13.68}40.602 90.828 63.786 { ca ile a 303 B28.16}42.632 90.939 60.614 { ca thr a 304 B36.62}40.246 89.480 58.085 { ca gly a 305 B2.88}37.086 90.298 59.901 { ca val a 306 B4.96}35.898 86.652 59.529 { ca asp a 307 B19.70}34.143 84.920 62.436 { ca leu a 308 B21.26}35.784 81.533 62.550 { ca ile a 309 B24.21}33.281 80.141 64.800 { ca lys a 310 B18.07}30.183 80.976 62.959 { ca glu a 311 B13.74}31.785 79.789 59.777 { ca gln a 312 B12.49}32.548 76.549 61.459 { ca leu a 313 B16.41}28.844 76.326 62.358 { ca arg a 314 B22.83}27.754 76.868 58.797 { ca ile a 315 B20.81}29.888 74.152 57.393 { ca ala a 316 B27.33}28.472 71.751 59.914 { ca ala a 317 B51.98}25.027 72.659 58.777 { ca gly a 318 B14.10}26.154 71.785 55.316 { ca gln a 319 B72.09}26.429 75.315 54.106 { ca pro a 320 B70.51}29.291 75.728 51.665 { ca leu a 321 B70.89}31.930 78.427 51.952 { ca ser a 322 B71.57}30.499 81.908 52.066 { ca ile a 323 B24.70}33.834 83.448 51.358 { ca lys a 324 B6.91}35.925 83.317 48.232 { ca gln a 325 B38.09}39.678 83.727 48.518 { ca glu a 326 B36.39}39.403 87.029 46.628 { ca glu a 327 B27.96}37.131 88.435 49.371 { ca val a 328 B55.57}39.693 87.585 52.070 { ca his a 329 B18.87}41.678 90.695 52.954 { ca val a 330 B17.88}44.401 91.340 55.416 { ca arg a 331 B14.69}43.910 94.602 57.248 { ca gly a 332 B15.70}45.837 95.947 60.171 { ca his a 333 B19.25}47.675 93.900 62.767 { ca ala a 334 B11.65}46.658 92.031 65.905 { ca val a 335 B51.46}48.408 90.754 68.985 { ca glu a 336 B12.85}47.246 88.251 71.618 { ca cys a 337 B88.32}48.462 87.763 75.126 { ca arg a 338 B28.60}47.370 84.617 76.825 { ca ile a 339 B8.86}46.562 85.228 80.401 { ca asn a 340 B9.76}47.159 82.487 82.979 { ca ala a 341 B19.94}46.922 81.799 86.655 { ca glu a 342 B48.49}50.089 79.950 87.306 { ca asp a 343 B33.20}53.188 79.520 89.409 { ca pro a 344 B39.53}55.896 81.958 88.194 { ca asn a 345 B81.18}58.424 79.240 88.874 { ca thr a 346 B32.41}56.683 76.034 88.188 { ca phe a 347 B29.79}54.337 77.478 85.657 { ca leu a 348 B33.41}51.602 75.372 87.281 { ca pro a 349 B62.97}48.088 76.590 87.746 { ca ser a 350 B24.61}47.571 78.678 90.775 { ca pro a 351 B25.10}44.022 78.098 91.769 { ca gly a 352 B28.87}42.018 80.391 93.963 { ca lys a 353 B37.38}39.258 82.984 94.360 { ca ile a 354 B21.83}39.479 86.215 92.449 { ca thr a 355 B33.42}38.742 89.038 94.868 { ca arg a 356 B47.73}38.757 91.881 92.385 { ca phe a 357 B32.30}38.496 92.001 88.603 { ca his a 358 B22.08}38.554 94.725 86.077 { ca ala a 359 B10.01}38.700 94.180 82.367 { ca pro a 360 B10.50}40.257 96.548 79.963 { ca gly a 361 B21.67}38.346 98.411 77.272 { ca gly a 362 B4.88}38.651 100.826 74.369 { ca phe a 363 B10.74}39.037 100.940 70.620 { ca gly a 364 B14.05}40.741 97.884 69.195 { ca val a 365 B11.76}40.431 96.115 72.531 { ca arg a 366 B19.74}39.015 92.555 72.767 { ca trp a 367 B16.54}38.652 90.538 75.938 { ca glu a 368 B19.98}37.929 86.811 75.804 { ca ser a 369 B15.83}37.607 85.323 79.296 { ca his a 370 B43.99}34.986 83.702 81.513 { ca ile a 371 B15.30}36.351 84.986 84.755 { ca tyr a 372 B23.28}34.517 87.258 87.037 { ca ala a 373 B28.57}34.882 88.895 90.488 { ca gly a 374 B37.05}34.313 86.328 93.203 { ca tyr a 375 B39.67}34.980 83.613 90.658 { ca thr a 376 B44.89}37.109 80.734 91.924 { ca val a 377 B15.53}39.782 79.257 89.861 { ca pro a 378 B27.42}39.829 75.466 90.349 { ca pro a 379 B57.84}42.884 73.352 90.350 { ca tyr a 380 B31.12}41.576 70.490 88.206 { ca tyr a 381 B32.47}42.201 71.923 84.842 { ca asp a 382 B41.61}44.642 74.071 82.874 { ca ser a 383 B33.32}45.872 77.529 83.912 { ca met a 384 B33.26}44.519 79.723 81.202 { ca ile a 385 B21.60}42.026 82.251 82.369 { ca gly a 386 B14.37}41.720 84.552 79.407 { ca lys a 387 B14.32}43.040 86.237 76.323 { ca leu a 388 B15.06}43.525 89.831 75.419 { ca ile a 389 B13.12}43.627 90.909 71.801 { ca cys a 390 B32.71}44.388 94.413 70.680 { ca tyr a 391 B15.10}44.095 95.474 67.167 { ca gly a 392 B15.40}45.620 98.336 65.346 { ca glu a 393 B29.11}46.335 99.814 61.903 { ca asn a 394 B10.40}49.989 98.702 62.379 { ca arg a 395 B28.79}51.933 96.476 64.580 { ca asp a 396 B8.62}53.115 99.353 66.614 { ca val a 397 B29.83}49.629 100.570 67.319 { ca ala a 398 B23.95}48.642 97.114 68.331 { ca ile a 399 B12.96}51.567 96.810 70.703 { ca ala a 400 B27.25}50.806 100.141 72.213 { ca arg a 401 B13.12}47.259 99.211 72.837 { ca met a 402 B14.29}48.304 96.048 74.468 { ca lys a 403 B32.91}50.655 97.931 76.700 { ca asn a 404 B28.13}47.871 100.007 78.012 { ca ala a 405 B55.44}45.266 97.332 78.136 { ca leu a 406 B51.66}47.454 95.202 80.356 { ca gln a 407 B20.72}47.984 98.236 82.614 { ca glu a 408 B16.13}44.223 98.577 83.016 { ca leu a 409 B39.55}43.712 94.881 83.654 { ca ile a 410 B19.50}43.215 93.885 87.236 { ca ile a 411 B32.11}43.017 90.371 88.716 { ca asp a 412 B23.25}43.399 90.025 92.433 { ca gly a 413 B16.32}43.485 86.954 94.530 { ca ile a 414 B29.19}45.702 84.866 92.370 { ca lys a 415 B18.74}49.117 84.740 90.704 { ca thr a 416 B27.19}49.107 85.719 87.140 { ca asn a 417 B20.42}51.200 86.052 84.170 { ca val a 418 B24.45}50.372 89.618 83.535 { ca asp a 419 B31.31}53.821 90.950 84.528 { ca leu a 420 B22.38}55.646 88.822 82.088 { ca gln a 421 B18.76}53.338 89.809 79.203 { ca ile a 422 B14.66}54.015 93.395 80.067 { ca arg a 423 B25.57}57.659 92.691 80.126 { ca ile a 424 B10.82}57.375 91.098 76.720 { ca met a 425 B18.50}55.537 93.943 75.241 { ca asn a 426 B27.77}58.270 96.024 76.516 { ca asp a 427 B30.56}60.994 93.832 74.956 { ca glu a 428 B36.49}63.358 95.600 72.537 { ca asn a 429 B33.62}63.499 92.761 70.151 { ca phe a 430 B20.44}59.942 91.783 70.380 { ca gln a 431 B47.44}59.137 95.317 69.312 { ca his a 432 B23.71}61.609 94.982 66.625 { ca gly a 433 B75.77}59.826 91.775 65.524 { ca gly a 434 B14.18}60.923 88.485 63.939 { ca thr a 435 B27.46}62.232 86.806 67.091 { ca asn a 436 B10.26}62.590 83.090 67.129 { ca ile a 437 B24.12}61.335 80.116 68.978 { ca his a 438 B29.56}64.109 80.291 71.499 { ca tyr a 439 B18.85}64.152 83.944 72.328 { ca leu a 440 B34.61}61.779 83.675 75.216 { ca glu a 441 B36.52}63.329 80.884 77.205 { ca lys a 442 B54.37}66.595 82.572 76.491 { ca lys a 443 B100.00}65.611 85.905 78.024 { ca leu a 444 B39.36}64.082 84.218 81.025 { ca gly a 445 B48.36}67.085 82.058 81.864 { ca leu a 446 B81.34}65.245 78.836 80.850 @subgroup {PO4} dominant master= {hets} @vectorlist {het} color= pink master= {hets} { p po4 a 953 B42.95}P 46.814 75.649 70.547 {"}46.814 75.649 70.547 { o1 po4 a 953 B57.99}45.366 75.620 70.294 { p po4 a 953 B42.95}P 46.814 75.649 70.547 { o2 po4 a 953 B92.40}47.525 74.895 69.501 { p po4 a 953 B42.95}P 46.814 75.649 70.547 { o3 po4 a 953 B79.72}47.244 76.990 70.533 { p po4 a 953 B42.95}P 46.814 75.649 70.547 { o4 po4 a 953 B100.00}47.119 75.112 71.858 @group {Chain B} dominant @subgroup {mainchain} @vectorlist {Calphas} color= greentint master= {Calphas} { ca met b 1 B100.00}P 53.513 115.258 69.479 {"}53.513 115.258 69.479 { ca leu b 2 B35.07}52.523 117.335 72.512 { ca asp b 3 B14.11}54.198 116.523 75.740 { ca lys b 4 B65.78}51.582 116.858 78.348 { ca ile b 5 B26.49}47.923 117.684 78.269 { ca val b 6 B18.61}45.060 118.549 80.551 { ca ile b 7 B17.08}41.905 116.637 80.431 { ca ala b 8 B26.95}39.412 119.242 81.068 { ca asn b 9 B21.25}36.547 116.779 81.693 { ca arg b 10 B29.67}35.477 113.653 83.598 { ca gly b 11 B3.29}33.911 110.188 83.579 { ca glu b 12 B25.92}33.627 108.219 80.386 { ca ile b 13 B11.28}34.987 110.799 77.946 { ca ala b 14 B45.47}37.973 111.449 80.222 { ca leu b 15 B24.18}39.122 107.801 80.132 { ca arg b 16 B19.48}38.708 107.655 76.361 { ca ile b 17 B41.46}41.048 110.623 76.005 { ca leu b 18 B36.67}43.475 109.301 78.554 { ca arg b 19 B19.01}43.923 106.055 76.595 { ca ala b 20 B17.19}44.428 107.936 73.381 { ca cys b 21 B20.12}47.155 109.932 75.131 { ca lys b 22 B24.02}49.041 106.971 76.452 { ca glu b 23 B28.97}49.142 105.369 73.068 { ca leu b 24 B18.68}50.743 108.443 71.638 { ca gly b 25 B30.32}53.196 108.884 74.431 { ca ile b 26 B24.70}51.526 111.991 75.915 { ca lys b 27 B19.19}51.552 112.741 79.599 { ca thr b 28 B16.81}48.299 113.275 81.247 { ca val b 29 B43.47}46.985 115.681 83.797 { ca ala b 30 B24.30}43.781 114.976 85.379 { ca val b 31 B35.07}41.771 117.698 87.024 { ca his b 32 B34.59}38.979 116.507 89.214 { ca ser b 33 B30.27}36.457 117.606 91.731 { ca ser b 34 B40.46}36.670 116.416 95.313 { ca ala b 35 B54.15}33.826 114.108 94.447 { ca asp b 36 B20.30}35.588 112.449 91.435 { ca arg b 37 B22.86}38.730 111.525 93.325 { ca asp b 38 B37.67}38.056 107.870 92.719 { ca leu b 39 B34.67}37.403 108.199 89.048 { ca lys b 40 B26.78}39.029 105.491 86.859 { ca his b 41 B29.04}41.047 107.744 84.608 { ca val b 42 B29.50}41.980 109.680 87.651 { ca leu b 43 B25.79}43.582 106.615 89.061 { ca leu b 44 B30.15}45.341 106.021 85.784 { ca ala b 45 B60.01}46.749 109.524 85.202 { ca asp b 46 B20.03}50.416 110.594 85.193 { ca glu b 47 B22.27}49.524 113.645 87.197 { ca thr b 48 B20.00}46.497 114.793 89.170 { ca val b 49 B27.65}45.012 118.071 90.356 { ca cys b 50 B44.38}42.041 118.808 92.569 { ca ile b 51 B19.76}40.269 121.830 91.181 { ca gly b 52 B55.88}37.414 122.257 93.646 { ca pro b 53 B29.71}34.409 120.970 95.443 { ca ala b 54 B100.00}31.822 118.769 93.745 { ca pro b 55 B49.63}29.402 121.195 92.115 { ca ser b 56 B35.96}30.648 121.657 88.553 { ca val b 57 B38.22}29.863 125.240 88.889 { ca lys b 58 B30.89}32.827 125.383 91.183 { ca ser b 59 B45.39}34.884 122.633 89.680 { ca tyr b 60 B25.65}34.567 121.602 86.140 { ca leu b 61 B39.74}33.429 125.051 85.265 { ca asn b 62 B18.61}36.032 126.906 87.303 { ca ile b 63 B41.23}38.070 128.256 84.412 { ca pro b 64 B31.58}40.759 129.953 86.347 { ca ala b 65 B26.15}41.368 126.794 88.354 { ca ile b 66 B41.55}41.585 124.720 85.253 { ca ile b 67 B26.92}43.985 127.209 83.723 { ca ser b 68 B37.60}46.216 127.296 86.791 { ca ala b 69 B12.96}46.470 123.497 86.680 { ca ala b 70 B45.20}48.094 123.560 83.292 { ca glu b 71 B34.56}50.534 126.143 84.714 { ca ile b 72 B55.35}51.890 124.368 87.660 { ca thr b 73 B22.44}52.171 121.069 85.719 { ca gly b 74 B26.74}53.855 122.485 82.765 { ca ala b 75 B29.41}51.163 121.278 80.454 { ca val b 76 B27.85}51.009 122.467 76.842 { ca ala b 77 B21.29}47.385 121.718 75.759 { ca ile b 78 B16.56}43.860 121.305 77.035 { ca his b 79 B14.85}41.248 118.887 76.063 { ca pro b 80 B21.44}37.828 120.179 76.807 { ca gly b 81 B7.90}36.149 116.869 75.876 { ca tyr b 82 B22.71}32.384 117.238 75.484 { ca gly b 83 B31.51}29.580 119.089 77.247 { ca phe b 84 B41.04}31.320 121.270 79.721 { ca leu b 85 B29.94}33.454 124.279 78.734 { ca ser b 86 B3.19}33.957 122.439 75.383 { ca glu b 87 B43.69}31.869 124.939 73.503 { ca asn b 88 B34.08}32.798 128.008 75.580 { ca ala b 89 B30.65}34.457 130.856 73.550 { ca asn b 90 B34.46}35.745 132.477 76.562 { ca phe b 91 B34.50}37.362 129.393 77.739 { ca ala b 92 B32.31}38.984 128.908 74.366 { ca glu b 93 B23.47}39.994 132.510 74.272 { ca gln b 94 B52.00}41.552 132.500 77.728 { ca val b 95 B58.19}43.260 129.171 77.121 { ca glu b 96 B65.56}45.170 130.395 74.124 { ca arg b 97 B54.69}45.866 133.825 75.523 { ca ser b 98 B30.66}47.280 132.212 78.678 { ca gly b 99 B30.05}49.698 130.645 76.239 { ca phe b 100 B35.50}48.160 127.249 76.052 { ca ile b 101 B18.75}46.813 125.064 73.187 { ca phe b 102 B39.47}43.061 124.509 72.992 { ca ile b 103 B40.27}42.168 121.237 71.500 { ca gly b 104 B29.27}39.232 122.398 69.531 { ca pro b 105 B36.61}38.416 125.071 66.997 { ca lys b 106 B27.95}38.988 128.798 67.224 { ca ala b 107 B44.41}36.996 130.959 69.687 { ca glu b 108 B28.56}35.887 133.048 66.764 { ca thr b 109 B64.61}34.479 129.861 65.227 { ca ile b 110 B21.02}32.827 128.843 68.413 { ca arg b 111 B48.18}30.938 132.086 68.662 { ca leu b 112 B49.87}30.121 132.171 65.028 { ca met b 113 B47.26}28.517 128.749 65.388 { ca gly b 114 B31.10}27.059 129.400 68.802 { ca asp b 115 B36.74}24.540 131.760 67.287 { ca lys b 116 B25.51}21.358 130.241 65.735 { ca val b 117 B70.93}21.402 133.112 63.210 { ca ser b 118 B49.60}25.028 133.772 62.519 { ca ala b 119 B25.12}25.319 130.118 61.800 { ca ile b 120 B56.72}22.468 129.841 59.398 { ca ala b 121 B44.22}23.866 132.807 57.648 { ca ala b 122 B67.71}27.288 131.211 57.316 { ca met b 123 B42.62}25.692 128.081 56.288 { ca lys b 124 B51.67}23.894 129.784 53.614 { ca lys b 125 B31.80}27.142 131.268 52.384 { ca ala b 126 B71.98}28.807 127.878 52.182 { ca gly b 127 B40.14}25.727 126.586 50.478 { ca val b 128 B49.38}24.538 124.143 53.147 { ca pro b 129 B24.47}20.890 122.956 52.926 { ca cys b 130 B26.59}18.846 124.843 55.420 { ca val b 131 B35.26}15.105 124.813 56.199 { ca pro b 132 B37.37}13.125 126.754 53.598 { ca gly b 133 B31.05}10.837 129.596 54.740 { ca ser b 134 B100.00}9.267 133.034 54.168 { ca asp b 135 B37.60}12.609 134.683 54.418 { ca gly b 136 B100.00}11.036 137.854 55.858 { ca asp b 140 B100.00}P -1.751 140.672 55.034 {"}-1.751 140.672 55.034 { ca asp b 141 B50.48}-1.309 139.544 51.523 { ca met b 142 B94.80}-3.087 136.389 50.573 { ca asp b 143 B100.00}-2.016 136.522 46.942 { ca lys b 144 B83.64}1.711 136.426 47.195 { ca asn b 145 B40.47}1.798 134.714 50.531 { ca arg b 146 B100.00}0.320 131.770 48.812 { ca ala b 147 B94.15}2.939 131.613 46.042 { ca ile b 148 B52.33}5.816 131.278 48.513 { ca ala b 149 B38.26}4.290 128.385 50.143 { ca lys b 150 B38.19}4.194 126.862 46.684 { ca arg b 151 B47.35}7.842 127.452 46.508 { ca ile b 152 B42.91}8.230 125.968 49.977 { ca gly b 153 B100.00}6.035 122.939 49.355 { ca tyr b 154 B38.29}3.358 121.732 51.656 { ca pro b 155 B49.43}3.008 121.183 54.402 { ca val b 156 B36.00}3.877 124.553 55.929 { ca ile b 157 B70.12}3.671 126.219 59.336 { ca ile b 158 B52.88}3.135 129.799 60.309 { ca lys b 159 B69.40}5.256 130.622 63.311 { ca arg b 170 B100.00}P -0.448 126.296 63.042 {"}-0.448 126.296 63.042 { ca val b 171 B58.15}-0.047 123.762 60.135 { ca val b 172 B52.00}-1.157 124.221 56.540 { ca arg b 173 B32.89}-1.758 121.602 53.873 { ca gly b 174 B46.67}-3.294 123.708 51.121 { ca asp b 175 B48.69}-4.338 127.160 50.042 { ca ala b 176 B100.00}-7.695 126.754 51.737 { ca glu b 177 B100.00}-6.644 126.806 55.409 { ca leu b 178 B70.73}-4.280 129.558 54.503 { ca ala b 179 B68.87}-6.383 132.497 55.540 { ca gln b 180 B100.00}-8.030 130.995 58.655 { ca ser b 181 B100.00}-4.626 129.805 59.970 { ca ile b 182 B100.00}-2.799 132.949 59.074 { ca ser b 183 B100.00}-5.645 135.045 60.639 { ca met b 184 B100.00}-5.321 133.031 63.866 { ca thr b 185 B100.00}-1.627 133.214 63.718 { ca arg b 186 B100.00}-1.810 137.069 63.186 { ca ala b 187 B100.00}-4.076 137.235 66.299 { ca tyr b 199 B100.00}P 6.756 133.975 59.619 {"}6.756 133.975 59.619 { ca met b 200 B46.91}6.150 131.032 57.377 { ca glu b 201 B35.45}8.297 127.951 57.411 { ca lys b 202 B40.20}8.727 124.495 55.977 { ca tyr b 203 B32.88}7.041 121.723 57.872 { ca leu b 204 B40.27}8.951 118.512 58.555 { ca glu b 205 B100.00}6.364 116.114 59.809 { ca asn b 206 B49.24}8.450 112.924 59.970 { ca pro b 207 B20.25}12.146 113.503 59.793 { ca arg b 208 B45.54}15.181 111.499 60.821 { ca his b 209 B23.56}18.121 112.821 62.714 { ca val b 210 B11.01}21.213 112.544 60.463 { ca glu b 211 B19.03}24.507 114.097 61.320 { ca ile b 212 B23.15}27.785 114.254 59.474 { ca gln b 213 B16.66}31.267 113.810 60.994 { ca val b 214 B21.57}34.145 115.991 59.929 { ca leu b 215 B51.38}37.801 116.646 60.534 { ca ala b 216 B35.57}39.637 119.712 59.395 { ca asp b 217 B58.63}43.127 120.905 60.130 { ca gly b 218 B49.54}42.876 124.690 59.781 { ca gln b 219 B48.81}45.631 124.387 57.242 { ca gly b 220 B66.15}43.099 124.193 54.426 { ca asn b 221 B50.98}42.211 120.478 54.614 { ca ala b 222 B35.31}38.811 119.031 55.308 { ca ile b 223 B15.94}37.358 115.570 55.282 { ca tyr b 224 B26.38}33.971 114.064 56.120 { ca leu b 225 B33.16}33.577 110.650 57.818 { ca ala b 226 B32.43}30.147 109.494 56.656 { ca glu b 227 B29.53}27.140 110.037 58.818 { ca arg b 228 B21.65}25.313 108.672 61.880 { ca asp b 229 B15.40}21.624 108.288 62.722 { ca cys b 230 B21.59}20.456 109.360 66.146 { ca ser b 231 B18.52}16.687 109.448 65.545 { ca met b 232 B5.80}16.224 107.392 68.687 { ca gln b 233 B53.29}15.562 110.094 71.328 { ca arg b 234 B28.31}13.863 111.038 74.591 { ca arg b 235 B25.22}13.306 114.591 75.633 { ca his b 236 B57.43}15.508 115.461 72.723 { ca gln b 237 B21.90}18.244 113.369 74.171 { ca lys b 238 B11.35}20.053 110.667 72.138 { ca val b 239 B29.49}19.437 107.101 73.275 { ca val b 240 B13.25}20.795 104.920 70.548 { ca glu b 241 B16.85}23.091 105.878 67.684 { ca glu b 242 B17.95}24.158 104.051 64.599 { ca ala b 243 B25.56}26.368 104.204 61.575 { ca pro b 244 B3.87}26.122 104.324 58.822 { ca ala b 245 B18.30}22.533 105.572 58.339 { ca pro b 246 B27.10}20.086 103.210 56.692 { ca gly b 247 B26.23}18.649 104.318 53.286 { ca ile b 248 B75.50}21.595 106.660 52.795 { ca thr b 249 B26.02}23.256 106.163 49.454 { ca pro b 250 B32.91}26.740 106.997 48.412 { ca glu b 251 B31.01}25.485 109.619 46.116 { ca leu b 252 B30.57}23.714 111.346 48.900 { ca arg b 253 B27.45}26.556 110.614 51.290 { ca arg b 254 B45.03}28.915 112.392 48.992 { ca tyr b 255 B30.29}26.584 115.333 48.223 { ca ile b 256 B18.90}26.257 116.201 51.847 { ca gly b 257 B17.98}29.751 115.378 52.900 { ca glu b 258 B36.32}31.381 117.415 50.227 { ca arg b 259 B34.62}29.019 120.222 51.257 { ca cys b 260 B32.36}29.968 120.037 54.908 { ca ala b 261 B32.56}33.641 119.675 54.112 { ca lys b 262 B54.22}33.559 122.748 51.906 { ca ala b 263 B34.68}32.023 124.842 54.679 { ca cys b 264 B27.65}34.732 123.784 57.059 { ca val b 265 B32.28}37.019 125.680 54.826 { ca asp b 266 B25.27}35.010 128.859 54.418 { ca ile b 267 B27.87}34.596 129.102 58.176 { ca gly b 268 B30.41}38.233 128.137 58.881 { ca tyr b 269 B46.91}37.317 125.203 61.043 { ca arg b 270 B15.66}40.017 123.421 62.953 { ca gly b 271 B24.74}39.479 120.060 64.669 { ca ala b 272 B40.99}36.656 117.564 64.929 { ca gly b 273 B42.58}33.076 118.524 64.487 { ca thr b 274 B37.35}29.655 117.576 63.406 { ca phe b 275 B23.35}26.960 118.999 61.251 { ca glu b 276 B35.36}23.494 117.868 62.410 { ca phe b 277 B25.39}20.669 117.729 59.882 { ca leu b 278 B10.57}17.039 116.722 59.814 { ca phe b 279 B23.24}16.393 114.271 57.023 { ca glu b 280 B25.89}13.187 113.942 55.292 { ca asn b 281 B42.55}12.368 112.672 51.896 { ca gly b 282 B45.54}15.792 112.689 50.506 { ca glu b 283 B29.01}16.452 116.098 51.830 { ca phe b 284 B21.82}18.621 117.376 54.615 { ca tyr b 285 B27.02}17.906 120.499 56.621 { ca phe b 286 B29.36}20.663 122.016 58.654 { ca ile b 287 B11.71}20.003 122.226 62.359 { ca glu b 288 B26.68}23.318 122.842 63.978 { ca met b 289 B15.51}26.994 122.239 64.448 { ca asn b 290 B56.22}28.583 120.924 67.463 { ca thr b 291 B72.20}31.970 122.412 67.410 { ca arg b 292 B17.43}33.299 119.433 69.236 { ca ile b 293 B36.61}33.725 115.727 69.678 { ca gln b 294 B22.45}30.496 113.991 70.432 { ca val b 295 B18.61}29.467 111.225 72.725 { ca glu b 296 B21.07}28.456 108.932 69.854 { ca his b 297 B22.17}31.736 109.310 68.036 { ca pro b 298 B9.51}32.778 105.707 68.597 { ca val b 299 B29.45}30.211 104.456 66.235 { ca thr b 300 B20.81}32.189 106.108 63.503 { ca glu b 301 B1.00}35.628 104.868 64.466 { ca met b 302 B29.56}34.376 101.309 63.953 { ca ile b 303 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