Cold Spring Harbor Symposia on Quantitative Biology
XXXVI: Structure and Function of Proteins at the Three-Dimensional Level
1971
CSHL Digital Photo Archives
1971




From left: Dr. Michael Raftery, Dr. Alexander Rich, Dr. Dorothy Hodgkin



SYMPOSIUM SYNOPSIS

LIST OF PARTICIPANTS

CONTENTS OF SYMPOSIUM VOLUME

PHOTOGRAPHS

PUBLISHED VOLUME








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Structure and Function of Proteins at the Three-Dimensional Level

Symposium Volume XXXVI Contents

Dedication    vii

Symposium Participants    xiii

Foreword    xix



GENERAL CONSIDERATION OF PROTEIN STRUCTURE AND CATALYSIS

Structure-Reactivity Correlations and General Acid-Base Catalysis in Enzymic Transacylation Reactions W. P. Jencks    1 The 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    13

Views on Approximation, Orbital Steering, and Enzymatic and Model Reactions T. C. Bruice    21

The Role of Distortion in the Lysozyme Mechanism B. D. Sykes, S. L. Patt, and D. Dolphin    29

Protein Structure, Ribonuclease-S and Nucleotide Interactions F. M. Richards, H. W. Wyckoff, W. D. Carlson, N. M. Allewell, B. Lee, and Y. Mitsui    35

Enzymatic 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    45

The Entatic State R. J. P. Williams    53



PROTEASES: STRUCTURE, CATALYSIS, INHIBITION

a-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 Protease Catalysis 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 Elastase D. 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    107

The 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    117

The Crystal and Molecular Structure of DIP-inhibited Bovine Trypsin at 2.7 A Resolution R. M. Stroud, L. M. Kay, and R. E. Dickerson    125

Pancreatic 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 PATHWAY

Crystallographic 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



DEHYDROGENASES

Structural 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    179

Relaxation Studies on an Allosteric Enzyme: Aspartokinase I-Homoserine Dehydrogenase I J. Janin    193

A Low Resolution Electron-Density Map of Lipoyl Transsuccinylase, the Core of the a-Ketoglutarate Dehydrogenase Complex D. J. DeRosier and R. M. Olive    199



MUSCLE PROTEINS

Tropomyosin Crystal Dynamics C. Cohen, D. L. D. Caspar, D. A. D. Parry, and R. M. Lucas    205

The Structure of a Calcium-binding Protein from Carp Muscle R. H. Kretsinger, C. E. Nockolds, C. J. Coffee, and R. A. Bradshaw    217



NEW PROTEIN STRUCTURES AND PROGRESS REPORTS

Crystal 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    233

Some 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    257

Concerning 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    263

X-Ray Crystallographic Studies of Concanavalin A K. D. Hardman, M. K. Wood, M. Schiffer, A. B. Edmundson, and C. F. Ainsworth    271

The Structure of Concanavalin A at 4 A Resolution 0. N. Reeke, J. W. Becker, and F. A. Quiocho    277

The 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    285

Molecular 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    291



HEMOGLOBINS: MUTANTS, DERIVATIVES, AND COMPLEXES

Stereochemistry of Cooperative Effects in Hemoglobin M. F. Perutz and L. F. TenEyck    295

The Effect of Removal of C-terminal Residues on Cooperative Interactions in Hemoglobin J. V. Kilmartin and J. A. Hewitt    311 Three-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



IRON-CONTAINING PROTEINS OTHER THAN HEMOGLOBIN

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



IMMUNOGLOBIN STRUCTURE: IgG AND FRAGMENTS

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



STRUCTURE OF VIRUSES

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



SPECTROSCOPY AND SPECTROSCOPIC PROBES

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 Magnetic Resonance Methods M. Cohn, J. S. Leigh, Jr., and G. H. Reed    533

Use of 19F-Nuclear Magnetic Resonance Spectroscopy for Detection of Protein Conformation 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



TECHNIQUES IN DIFFRACTION AND MODEL BUILDING

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



SUMMARY

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

Appendix: Stereo Plates    593

Subject Index    633

Name Index    639






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