This course introduces students to the principles of modern structural biology. The objective is to convey the importance of understanding fundamental biological processes in terms of the atomic properties of the macromolecules that participate in them, and develop a feeling for the spatial and conceptual relationships of these molecular systems. In this course we identify reoccurring structural principles and motifs and show how proteins with unrelated functions are built up from combinations of these. A brief introduction to methods of structure determination by X-ray crystallography and NMR is included. Specific examples from the literature illustrate general structural principles.
Immediately below are PDFs with general information about the course. Following the general info is the tentative class schedule in columnar format. Listed with the date and topic are downloadable resources - PDFs, kinemages, and text files. The topics and/or resources may change during the course of the course. An assigned worksheet is generally expected to be done between the day it is listed and the following class. After the class schedule are links to additional resources on using kinemages and KiNG.
Be attentive with your downloads! Kinemage files are text files and may display in the browser. If necessary, use some type of "right-click"; option-click; shift-right elbow-click combo to download the file or link. This may be true for some browsers even with PDF files.
Mon - 8/29/2011
3D and thermodynamic literacy
Macromolecular computer graphics & KiNG
WrkSht1_Intro2011.pdf (120KB pdf) |
WrkSht1_Intro2011.doc (120KB pdf)
Demo5_4a-KiNG.kin (100KB)
Link to online Quick Start KiNG |
QuickStartKing.pdf (36KB pdf)
3Dlit2a-exercise-KiNG.pdf (24KB pdf) |
3Dlit2a-exercise-KiNG.kin (20KB)
Wed - 08/31/2011
Peptide geometry & handedness
Wrksht2_DihedralsHanded2009.pdf (148KB)
Wrksht2_DihedralsHanded2009.doc (148KB)
c1Basics-1n6-KiNG.kin (120KB)
4FXN.pdb (120KB)
Fri - 09/02/2011
Secondary structures
c1Basics-2-5-QKiNG.kin (16KB)
Wrksht3-handedAAroles2009.pdf (120KB)
Wrksht3-handedAAroles2009.doc (120KB)
howdotswork3KiNG.kin (515KB)
(requires mage)
ala_dipept_geom_dotball5.1.kin (4.9MB)
(requires mage)
idealpolyala12.kin (16KB)
(requires mage)
appendstuff2.kin (3.8MB)
Mon - 09/05/2011 (Duke classes are in session on Labor Day)
Structural Motifs & Domains;
Structural Classification
The on-line HTML version of the annotated Anatomy and Taxonomy of Protein Structure.
WrkSht5-StructClasses2009.pdf (110KB)
WrkSht5-StructClasses2009.doc (110KB)
c2Motifs.kin (248KB)
c3Alpha.kin (352KB)
c4Al_Bet.kin (348KB)
c5Beta.kin (408KB)
Wed - 09/07/2011
Structure stabilizing interactions
258LectureNotes2011-Sep07Wednesday.pdf (60KB)
WrkSht6-H-bonds2011.pdf (150KB)
HbondPractice-KiNG.kin (100KB)
Fri - 09/09/2011
Conformational thermodynamics
Mathmatica Assignment: due Wednesday Sept 14
Oas Problem Set #1 comes in the form of a Mathematica notebook. In order to use it you must first download Mathematica from the OIT software website at:
https://oit.duke.edu/comp-print/software/license/detail.php?id=18
When you have properly installed Mathematica you should be able to open PS1.nb and follow the instructions within it. When you are done save it to
You will see that the questions in this PS are quite trivial. This is mainly an exercise to acquaint you with Mathematica.
258MathmaticaNB-20110909rev13-PS1.nb (25KB)
Mon - 09/12/2011
Roles of amino acids and mutations
WrkSht7-mutants2009.pdf (120KB)
WrkSht7-mutants2009.doc (120KB)
1lmb6_85aH.kin (185KB)
1lmb6_85aH.pdb (120KB)
2simHdot.kin (5.3MB)
2simH.pdb (520KB)
258LectureNotes2011-Sep12Monday.pdf (60KB)
Wed - 09/14/2011
Ligand binding
258ClassNotes110914.pdf (60KB)
258OasLecture2.pdf (60KB)
Fri - 09/16/2011
Allostery/MWC
258OasLecture3.pdf (60KB)
CantorSchimmelCh15.pdf (60KB)
CantorSchimmelCh17.pdf (60KB)
Mon - 09/19/2011
Structural View of allostery
WrkSht8-motions2009.pdf (130KB)
WrkSht8-motions2009.doc (130KB)
c6FldFlx-KiNG.kin (800KB)
HbAllo-KiNG.kin (120KB)
Wed - 09/21/2011
More on Allostery...
(Fri - 09/23/2011
in-class EXAM (individual laptops!)
Mon - 09/26/11
Principles of protein-nucleic acid recognition:
Procaryotic transcription factors
Prot-DNAInteractionsWksht.pdf (32KB)
258protDNAinter.kin (240KB)
c7DNA.kin (156KB)
c8HthTF.kin (312KB)
Wed - 09/28/11
Eucaryotic transcription
Prot-DNAInteractionsWksht.pdf (32KB)
258protDNAinter.kin (240KB)
c9EuTF.kin (316KB)
c10TFfam.kin (312KB)
Fri - 09/30/11
Enzyme catalysis: Serine & HIV proteases
Wkst-SerineProtease.pdf (36KB)
c11SerPr.kin (316KB)
Mon - 10/03/11
Enzyme catalysis:
DNA polymerases & HIV-1 reverse transcriptase
Polymerase movie
(local download)
polymerase.mov (10.6MB)
Wed - 10/05/11
The Ribosome
Ribosome movie
ribosome.mov (32.4MB)
1ffk.bb.kin (704KB)
1ffk_hlx7H.kin (1.3MB)
1ffk_5Sto38.kin (436KB)
1ffk_pieceH.kin (116KB)
1ffk5S_mcdots.kin (1.1MB)
1ffk5SHstack.kin (1.9MB)
1JJ2s.L24.kin (72KB)
Fri - 10/07/11 (Protein-DNA interactions worksheet due)
Structure determination methodology - Part I
c18StDet.kin (204KB)
Mon - 10/10/11
Duke Fall Break
(no class)
Wed - 10/12/11
Structure determination methodology - Part II
Thu - 10/13/11 (Time to be determined)
Frontiers of Structural Biology
Resources on using KiNG and kinemages