DOI: 10.1126/science.3090684. The Predicted Structure of Immunoglobulin D1.3 and Its Comparison with the Crystal Structure

The Predicted Structure of Immunoglobulin D1.3 and Its Comparison with the Crystal Structure

10.1126/science.3090684

Crossref journal-article

American Association for the Advancement of Science (AAAS)

Science (221)

Abstract

Predictions of the structures of the antigen-binding domains of an antibody, recorded before its experimental structure determination and tested subsequently, were based on comparative analysis of known antibody structures or on conformational energy calculations. The framework, the relative positions of the hypervariable regions, and the folds of four of the hypervariable loops were predicted correctly. This portion includes all residues in contact with the antigen, in this case hen egg white lysozyme, implying that the main chain conformation of the antibody combining site does not change upon ligation. The conformations of three residues in each of the other two hypervariable loops are different in the predicted models and the experimental structure.

Bibliography

Chothia, C., Lesk, A. M., Levitt, M., Amit, A. G., Mariuzza, R. A., Phillips, S. E. V., & Poljak, R. J. (1986). The Predicted Structure of Immunoglobulin D1.3 and Its Comparison with the Crystal Structure. Science, 233(4765), 755â758.

Authors 7

Cyrus Chothia (first)
Arthur M. Lesk (additional)
Michael Levitt (additional)
Adolfo G. Amit (additional)
Roy A. Mariuzza (additional)
Simon E. V. Phillips (additional)
Roberto J. Poljak (additional)

References 16 Referenced 163

10.1126/science.2426778
CHOTHIA, C, DOMAIN ASSOCIATION IN IMMUNOGLOBULIN MOLECULES - THE PACKING OF VARIABLE DOMAINS, JOURNAL OF MOLECULAR BIOLOGY 186: 651 (1985). (10.1016/0022-2836(85)90137-8) / JOURNAL OF MOLECULAR BIOLOGY (1985)
CHOTHIA C unpublished data.
DELAPAZ, P, EMBO J 5: 415 (1985). / EMBO J (1985)
EPP, O, MOLECULAR-STRUCTURE OF A DIMER COMPOSED OF VARIABLE PORTIONS OF BENCE-JONES PROTEIN REI REFINED AT 2.0-A RESOLUTION, BIOCHEMISTRY 14: 4943 (1975). (10.1021/bi00693a025) / BIOCHEMISTRY (1975)
FUREY, W, STRUCTURE OF A NOVEL BENCE-JONES PROTEIN (RHE) FRAGMENT AT 1.6 A RESOLUTION, JOURNAL OF MOLECULAR BIOLOGY 167: 661 (1983). (10.1016/S0022-2836(83)80104-1) / JOURNAL OF MOLECULAR BIOLOGY (1983)
JONES, T.A., COMPUTATIONAL CRYSTA: 303 (1982). / COMPUTATIONAL CRYSTA (1982)
KABAT E.A. SEQUENCES PROTEINS I (1983).
LESK, A.M., EVOLUTION OF PROTEINS FORMED BY BETA-SHEETS .2. THE CORE OF THE IMMUNOGLOBULIN DOMAINS, JOURNAL OF MOLECULAR BIOLOGY 160: 325 (1982). (10.1016/0022-2836(82)90179-6) / JOURNAL OF MOLECULAR BIOLOGY (1982)
LEVITT, M, PROTEIN FOLDING BY RESTRAINED ENERGY MINIMIZATION AND MOLECULAR-DYNAMICS, JOURNAL OF MOLECULAR BIOLOGY 170: 723 (1983). (10.1016/S0022-2836(83)80129-6) / JOURNAL OF MOLECULAR BIOLOGY (1983)
MARQUART, M, CRYSTALLOGRAPHIC REFINEMENT AND ATOMIC MODELS OF THE INTACT IMMUNOGLOBULIN MOLECULE KOL AND ITS ANTIGEN-BINDING FRAGMENT AT 3.0-A AND 1.9-A RESOLUTION, JOURNAL OF MOLECULAR BIOLOGY 141: 369 (1980). (10.1016/0022-2836(80)90252-1) / JOURNAL OF MOLECULAR BIOLOGY (1980)
NOVOTNY, J, MOLECULAR ANATOMY OF THE ANTIBODY-BINDING SITE, JOURNAL OF BIOLOGICAL CHEMISTRY 258: 14433 (1983). (10.1016/S0021-9258(17)43880-4) / JOURNAL OF BIOLOGICAL CHEMISTRY (1983)
SAUL, F.A., PRELIMINARY REFINEMENT AND STRUCTURAL-ANALYSIS OF FAB FRAGMENT FROM HUMAN IMMUNOGLOBULIN NEW AT 2.0 A RESOLUTION, JOURNAL OF BIOLOGICAL CHEMISTRY 253: 585 (1978). (10.1016/S0021-9258(17)38249-2) / JOURNAL OF BIOLOGICAL CHEMISTRY (1978)
SEGAL, D.M., 3-DIMENSIONAL STRUCTURE OF A PHOSPHORYLCHOLINE-BINDING MOUSE IMMUNOGLOBULIN FAB AND NATURE OF ANTIGEN BINDING-SITE, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 71: 4298 (1974). / PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (1974)
SIBANDA, B.L., BETA-HAIRPIN FAMILIES IN GLOBULAR-PROTEINS, NATURE 316: 170 (1985). (10.1038/316170a0) / NATURE (1985)
VERHOEYEN M unpublished data.

Dates

Type	When
Created	18 years, 10 months ago (Oct. 5, 2006, 4:28 p.m.)
Deposited	1 year, 7 months ago (Jan. 13, 2024, 4:38 p.m.)
Indexed	1 month, 4 weeks ago (July 1, 2025, 9:07 a.m.)
Issued	39 years ago (Aug. 15, 1986)
Published	39 years ago (Aug. 15, 1986)
Published Print	39 years ago (Aug. 15, 1986)

Funders 0

None

BibTeX

@article{Chothia_1986, title={The Predicted Structure of Immunoglobulin D1.3 and Its Comparison with the Crystal Structure}, volume={233}, ISSN={1095-9203}, url={http://dx.doi.org/10.1126/science.3090684}, DOI={10.1126/science.3090684}, number={4765}, journal={Science}, publisher={American Association for the Advancement of Science (AAAS)}, author={Chothia, Cyrus and Lesk, Arthur M. and Levitt, Michael and Amit, Adolfo G. and Mariuzza, Roy A. and Phillips, Simon E. V. and Poljak, Roberto J.}, year={1986}, month=aug, pages={755–758} }

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