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The Symposia, 1933 — 2003

1971:   Structure and Function of Proteins at the Three-Dimensional Level, Vol. XXXVI

Organizer: James Watson


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Dedication    vii
Symposium Participants    xiiiForeword    xixGENERAL CONSIDERATION OF PROTEIN STRUCTURE AND CATALYSISStructure-Reactivity Correlations and General Acid-Base Catalysis in Enzymic Transacylation Reactions W. P. Jencks    1The Importance of Orientation Factors in Enzymatic Reactions D. E. Kosh land, Jr., K. W. Carraway, G. A. Dafforn, J. D. Gass, and D. R. Storm    13Views on Approximation, Orbital Steering, and Enzymatic and Model Reactions T. C. Bruice    21The Role of Distortion in the Lysozyme Mechanism B. D. Sykes, S. L. Patt, and D. Dolphin    29Protein Structure, Ribonuclease-S and Nucleotide Interactions F. M. Richards, H. W. Wyckoff, W. D. Carlson, N. M. Allewell, B. Lee, and Y. Mitsui    35Enzymatic Catalysis and the Transition State Theory of Reaction Rates: Transition State Analogs C. E. Lienhard, I. I. Secemski, K. A. Koehler, and R. N. Lindquist    45The Entatic State R. J. P. Williams    53PROTEASES: STRUCTURE, CATALYSIS, INHIBITIONa-Chymotrypsin: What Can We Learn about Catalysis from X-Ray Diffraction?R. Henderson, C. S. Wright, C. P. Hess, and D. M. Blow    63 Conformational Equilibria and the Salt Bridge in Chymotrypsin A. R. Fersht    71 Spectrophotometric and Structural Evidence as to the Mechanism of ProteaseCatalysis at Chemical Bonding Resolution S. A. Bernhard and S.-J. Lau    75 The Stereochemistry of Substrate Binding to Chymotrypsin Ag D. M. Segal,G. H. Cohen, D. R. Davies, J. C. Powers, and P. E. Wilcox    85 Conformational Changes and Inhibitor Binding at the Active Site of ElastaseD. M. Shotton, N. J. White, and H. C. Watson    91 A Comparison of the Three-dimensional Structures of Subtilisin BPN¢ and Subtilisin Novo J. Drenth, W. C. J. Hol, J. N. Jansonius, and R. Koekoek    107The Aromatic Substrate Binding Site in Subtilisin BPN¢ and Its Resemblance to Chymotrypsin J. Kraut, J. D. Robertus, J. J. Birktoft, R. A. Alden, P. E. Wilcox, and J. C. Powers    117The Crystal and Molecular Structure of DIP-inhibited Bovine Trypsin at 2.7 A Resolution R. M. Stroud, L. M. Kay, and R. E. Dickerson    125Pancreatic Trypsin Inhibitor (Kunitz) Part I. Structure and Function R Huber, D. Kukla, A. Ruhlmann, and W. Steigemann    141 Part II. Complexes with Proteinases A. Riihlmann, H. J. Schramm, D.Kukla, and R. Huber    148 ENZYMES IN THE GLYCOLYTIC PATHWAYCrystallographic Studies of Chicken Triose Phosphate Isomerase D. W. Banner, A. C. Bloomer, G. A. Petsko, D. C. Phillips and C. I. Pogson    151 Triosephosphate Isomerase: Isotope Studies on the Mechanistic Pathway J. R.. Knowles, P. F. Leadlay, and S. G. Maiste    157 X-Ray Diffraction Studies on Enzymes in the Glycolytic Pathway J. W. Campbell, E. Duee,G.. Hodgson, W. D. Mercer, D. K. Stammers, P. L. Wendell, H. Muirhead, and H. C. Watson    165 DEHYDROGENASESStructural Studies on Heart Muscle Malate Dehydrogenases D. Tsernoglou, E. Hill, and L. J. Banaszak    171 Structural Constraints on Possible Mechanisms of Lactate Dehydrogenase as Shown by High Resolution Studies of the Apoenzyme and a Variety of Enzyme Complexes M. G. Rossmann, M. J. Adams, M. Buehner, G. C. Ford, M. L. Hackert, P. J. Lentz, Jr., A. McPherson, Jr., R. W. Schevitz, and I. E. Smiley    179Relaxation Studies on an Allosteric Enzyme: Aspartokinase I-Homoserine Dehydrogenase I J. Janin    193A Low Resolution Electron-Density Map of Lipoyl Transsuccinylase, the Core of the a-Ketoglutarate Dehydrogenase Complex D. J. DeRosier and R. M. Olive    199MUSCLE PROTEINSTropomyosin Crystal Dynamics C. Cohen, D. L. D. Caspar, D. A. D. Parry, and R. M. Lucas    205The Structure of a Calcium-binding Protein from Carp Muscle R. H. Kretsinger, C. E. Nockolds, C. J. Coffee, and R. A. Bradshaw    217NEW PROTEIN STRUCTURES AND PROGRESS REPORTSCrystal Structure of Human Erythrocyte Carbonic Anhydrase C. VI. The Three- dimensional Structure at High Resolution in Relation to Other Mammalian Carbonic Anhydrases K. K. Kannan, A. Liljas, I. Waara, P.-C. Bergstén, S. Lbögren, B. Strandberg, U. Bengtsson, U. Carlbom, K. Fridborg, L. Järup,and M. Petef    221 The Crystal Structure of Rhombohedral 2 Zinc Insulin T. L. Blundell, J. F. Cutfield, B. J. Dodson, G. G. Dodson, D. C. Hodgkin, and D. A. Mercola    233Some Aspects of the Structure of Staphylococcal Nuclease. Part I. Crystallographic Studies F. A. Cotton, C. J. Bier, V. W. Day, B. B. Hazen, Jr., and S. Larsen    243 Part II. Studies in Solution C. B. Anfinsen, A. N. Schechter, and H. Taniuchi    249 Tentative Sequential Model for the Unfolding and Refolding of Staphylococcal Nuclease at High pH 0. Jardetzky, J. L. Markley, H. Thielmann, Y. Arata, and M. N. Williams    257Concerning the Stereochemistry of Actinomycin Binding to DNA: An Actino- mycin-Deoxyguanosine Crystalline Complex H. M. Sobell, S. C. Jam, T. D. Sakore, G. Ponticello, and C. E. Nordman    263X-Ray Crystallographic Studies of Concanavalin A K. D. Hardman, M. K. Wood, M. Schiffer, A. B. Edmundson, and C. F. Ainsworth    271The Structure of Concanavalin A at 4 A Resolution 0. N. Reeke, J. W. Becker, and F. A. Quiocho    277The 5.5 A Resolution Structure of the Regulatory Enzyme, Aspartate Trans- carbamylase D. C. Wiley, D. B. Evans, S. G. Warren, C. H. McMurray, B. F. P. Edwards, W. A. Franks, and W. N. Lipscomb    285Molecular Symmetry and Crystal Packing of E. coli Glutamine Synthetase D. Eisenberg, B. G. Heidner, P. Goodkin, M. N. Dastoor, B. H. Weber, F. Wedler, and J. D. Bell    291HEMOGLOBINS: MUTANTS, DERIVATIVES, AND COMPLEXESStereochemistry of Cooperative Effects in Hemoglobin M. F. Perutz and L. F. TenEyck    295The Effect of Removal of C-terminal Residues on Cooperative Interactions in Hemoglobin J. V. Kilmartin and J. A. Hewitt    311Three-dimensional Structure of Abnormal Mutant Human Hemoglobins J. Greer    315

The Binding of a Spin-labeled Triphosphate to Hemoglobin R. T. Ogata and H. M. McConnell    325

An Allosteric Model of Hemoglobin R. G. Shulman, S. Ogawa, and J. J. Hopfield    337

Coboglobins: Cobalt Substitution and the Nature of the Prosthetic Group- Apoprotein Interaction in Hemoglobin and Myoglobin B. M. Hoffman, C. A. Spilburg, and D. H. Petering    343

The Structures of Lamprey and Bloodworm Hemoglobins in Relation to Their Evolution and Function W. B. Love, P. A. Klock, B. B. Lattman, B. A. Padlan, K. B. Ward, Jr., and W. A. Hendrickson    349


The Structure of a Non-Heme Iron Protein: Rubredoxin at 1.5 A Resolution K. D. Watenpaugh, L. C. Sieker, J. B. Herriott, and L. H. Jensen    359

The Structure of a Clostridial Flavodoxin, an Electron-transferring Flavoprotein. III. An Interpretation of an Electron-Density Map at a Nominal Resolution of 3.25 A M. L. Ludwig, B. D. Andersen, P. A. Apgar, R. M. Burnett, M. E. LeQuesne, and S. G. Mayhew    369

Structure of the Iron-Sulfur Cluster in the Chromatium Iron Protein at 2.25 A Resolution C. W. Carter, Jr., S. T. Freer, Ng. H. Xuong, R. A. Alden, and J. Kraut    381

The Structure of Cytochrome b5 at 2.0 A Resolution F. S. Mathews, P. Argos, and M. Levine    387

Conformational Changes upon Reduction of Cytochrome c T. Takano, R. Swanson, 0. B. Kallai, and R. E. Dickerson    397

Pulsed NMR Study of the Structure of Cytochrome c A. G. Redfield and R. K. Gupta    405


Crystal Structure of an Immunoglobulin Molecule by X-Ray Diffraction and Electron Microscopy V. R. Sarma, D. R. Davies, L. W. Labaw, E. W. Silverton and W. D. Terry    413

X-Ray Crystallographic Studies of the Fab and Fc Fragments of Human Myeloma Immunoglobulins R. J. Poljak, L. M. Amzel, H. P. Avey, L. N. Becka, D. J. Goldstein, and R. L. Humphrey    421

Crystallographic Studies of an IgG Immunoglobulin and the Bence-Jones Protein from One Patient A. B. Edmundson, M. Schiffer, M. K. Wood, K. D. Hard man, K. R. Ely, and C. F. Ainsworth    427


An Electron-Density Map of Tobacco Mosaic Virus at 10 A Resolution A. N. Barrett, J. Barrington Leigh, K. C. Holmes, A. Klug, R. Leberman, E. Mandelkow, and P. Von Sengbusch    433

The Disk of TMV Protein and Its Relation to the Helical and Other Modes of Aggregation A. Klug and A. C. H. Durham 449

The Mechanism and Control of the Assembly of Tobacco Mosaic Virus from Its RNA and Protein Disks P. J. G. Butler    461

X-Ray Diffraction Studies of the Structure of Satellite Tobacco Necrosis Virus K. Akervall, B. St randberg, M. G. Rossmann, U. Bengtsson, K. Fridborg, H. Johannisen, K. K. Kannan, S. Lovgren, G. Petef, B. Öberg, D. Eaker, S. Hjertén, L. Ryden, and I. Moking    469

Three-dimensional Image Reconstructions of Some Small Spherical Viruses R. A. Crowther and L. A. Amos    489

Structure of Tomato Bushy Stunt Virus: Three-dimensional X-Ray Diffraction Analysis at 30 A Resolution S. C. Harrison    495

Structural Studies on the Adenovirus Hexon R. M. Franklin, S. C. Harrison, U. Pettersson, C.-I. Bräindén, P-E. Werner, and L. Philipson    503


The Study of Biological Macromolecules Using Perturbed Angular Correlations of Gamma Radiation C. F. Meares and D. G. Westmoreland    511

Spectro-chemical Probes for Protein Conformation and Function B. L. Vallee,J. F. Riordan, J. T. Johansen, and D. M. Livingston    517

Mapping Active Sites of Phosphoryl-transferring Enzymes by MagneticResonance Methods M. Cohn, J. S. Leigh, Jr., and G. H. Reed    533

Use of 19F-Nuclear Magnetic Resonance Spectroscopy for Detection of ProteinConformation Changes: Application to Lysozyme, Ribonuclease, and Hemoglobin M. A. Raftery, W. H. Huestis, and F. Millet    541

On the Interpretation of Solvent Proton Magnetic Relaxation Data with Particular Application to the Structure of the Active Site of Mn-Carboxy- peptidase A S. H. Koenig, R. D. Brown, and J. Studebaker    551

X-Ray Diffraction and Nuclear Magnetic Resonance Dispersion Studies on Derivatives of Carboxypeptidase A F. A. Quiocho, P. H. Bethge, W. N. Lipscomb, J. F. Studebaker, R. D. Brown, and S. H. Koenig    561


A Neutron Diffraction Analysis of Myoglobin. III. Hydrogen-Deuterium Bonding in Side Chains B. P. Schoenborn    569

The Use of a Computer-controlled Display System in the Study of Molecular Conformations C. D. Barry and A. C. T. North    577

Construction of Space-filling Models of Proteins Using Dihedral Angles J. A. Yankeelov, Jr., and J. B. Coggins    585


Protein Crystallography 1971: Coming of Age D. C. Phillips    589

Appendix: Stereo Plates    593

Subject Index    633

Name Index    639