Shape complementarity at the hemoglobin α1β1 subunit interface
作者： Michael L. Connolly
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摘要: A computational method for attempting to predict protein complexes from the coordinates of individual proteins has been developed. It is based on matching complementary patterns knobs and holes. The computer algorithm correctly uniquely predicts association alpha beta subunits form αβ dimer corresponding α1β1 interface in hemoglobin tetramer. fails dock trypsin inhibitor onto trypsin. Nevertheless, this lone success still a significant advance over previous protein-docking algorithms. also important because it introduces several ways measure shape surface regions.
sci-hub.se 参考文章(39)
Robert Huber, Dietmar Kukla, Wolfram Bode, Peter Schwager, Klaus Bartels, Johann Deisenhofer, Wolfgang Steigemann, Structure of the complex formed by bovine trypsin and bovine pancreatic trypsin inhibitor: II. Crystallographic refinement at 1.9 Å resolution Journal of Molecular Biology. ,vol. 89, pp. 73- 101 ,(1974) , 10.1016/0022-2836(74)90163-6
Richard L. Bishop, Richard J. Crittenden, Geometry of Manifolds ,(1964)
Martin Šantavý, Jaroslav Kypr, A fast computer algorithm for finding an optimum geometrical interaction of two macromolecules Journal of Molecular Graphics. ,vol. 2, pp. 47- 49 ,(1984) , 10.1016/0263-7855(84)80033-8
Frances C. Bernstein, Thomas F. Koetzle, Graheme J.B. Williams, Edgar F. Meyer, Michael D. Brice, John R. Rodgers, Olga Kennard, Takehiko Shimanouchi, Mitsuo Tasumi, The Protein Data Bank: a computer-based archival file for macromolecular structures. Journal of Molecular Biology. ,vol. 112, pp. 535- 542 ,(1977) , 10.1016/S0022-2836(77)80200-3
Towards theoretical prediction of protein quaternary structure. FEBS Letters. ,vol. 101, pp. 6- 10 ,(1979) , 10.1016/0014-5793(79)81283-1
Elizabeth D. Getzoff, John A. Tainer, Paul K. Weiner, Peter A. Kollman, Jane S. Richardson, David C. Richardson, Electrostatic recognition between superoxide and copper, zinc superoxide dismutase Nature. ,vol. 306, pp. 287- 290 ,(1983) , 10.1038/306287A0
C. Chothia, S. Wodak, J. Janin, Role of subunit interfaces in the allosteric mechanism of hemoglobin Proceedings of the National Academy of Sciences of the United States of America. ,vol. 73, pp. 3793- 3797 ,(1976) , 10.1073/PNAS.73.11.3793
Michael L. Connolly, Computation of molecular volume Journal of the American Chemical Society. ,vol. 107, pp. 1118- 1124 ,(1985) , 10.1021/JA00291A006
A. J. Hopfinger, A QSAR investigation of dihydrofolate reductase inhibition by Baker triazines based upon molecular shape analysis Journal of the American Chemical Society. ,vol. 102, pp. 7196- 7206 ,(1980) , 10.1021/JA00544A005
Richard S. Morgan, Shirley L. Miller, John M. McAdon, The symmetry of self-complementary surfaces. Journal of Molecular Biology. ,vol. 127, pp. 31- 38 ,(1979) , 10.1016/0022-2836(79)90456-X