Insights into the three-dimensional structure of crotolase: Implications for biological activity and substrate specificity

Bioorganic and Medicinal Chemistry Letters

Volumn 7, Issue 24, 1997, Pages 3139-3144

  Massova, Irina ^a   Pirkle, Hubert ^c   Edwards, Brian F P ^b   Mobashery, Shahriar ^a  

^a WAYNE STATE UNIVERSITY   (United States)

^b WAYNE STATE UNIVERSITY SCHOOL OF MEDICINE   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CROTALUS ADAMANTEUS SERINE PROTEINASE; KALLIKREIN; SERINE PROTEINASE; THROMBIN; TRYPSIN; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; COMPUTER SIMULATION; ENZYME ACTIVITY; ENZYME BINDING; ENZYME STRUCTURE; NONHUMAN; PROTEIN FOLDING; SEQUENCE ANALYSIS; SEQUENCE HOMOLOGY; SNAKE; THROMBOCYTE AGGREGATION;

CROTALUS ADAMANTEUS; SERPENTES;

EID: 0031471083     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0960-894X(97)10168-8     Document Type: Article

References (21)

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10. Several unsuccessful attempts to crystallize crotalase have been made. Extensive crystallization trials with both commercial and " home-brewed" screening protocols have yielded only highly twinned crystals of crotalase to date (the Edwards laboratory).
11. The COMPOSER software implemented in the TRIPOS product SYBYL, version 6.22, was used for the folding of crotalase. The coordinates for homologous proteins were retrieved from the Brookhaven Protein Database, 1bbr, α-thrombin (Martin, P. D.; Robertson, W.; Turk, D.; Huber, R.; Bode, W.; Edwards, B. F. P. J. Biol. Chem. 1992, 267, 7911); 2tpc, β-trypsin (Marquart, M.; Walter, J.; Deisenhofer, J.; Bode, W.; Huber, R. Acta Crystallogr. sect. B, 1983, 39, 480) ; and 2pka, kallikrein A (Bode, W.; Chen, Z.; Bartels, K.; Kutzbach, C.; Schmidt-Kastner, G.; Bartunik, H. J. Mol. Biol. 1983, 164, 237).
12. The COMPOSER software implemented in the TRIPOS product SYBYL, version 6.22, was used for the folding of crotalase. The coordinates for homologous proteins were retrieved from the Brookhaven Protein Database, 1bbr, α-thrombin (Martin, P. D.; Robertson, W.; Turk, D.; Huber, R.; Bode, W.; Edwards, B. F. P. J. Biol. Chem. 1992, 267, 7911); 2tpc, β-trypsin (Marquart, M.; Walter, J.; Deisenhofer, J.; Bode, W.; Huber, R. Acta Crystallogr. sect. B, 1983, 39, 480) ; and 2pka, kallikrein A (Bode, W.; Chen, Z.; Bartels, K.; Kutzbach, C.; Schmidt-Kastner, G.; Bartunik, H. J. Mol. Biol. 1983, 164, 237).
13. The COMPOSER software implemented in the TRIPOS product SYBYL, version 6.22, was used for the folding of crotalase. The coordinates for homologous proteins were retrieved from the Brookhaven Protein Database, 1bbr, α-thrombin (Martin, P. D.; Robertson, W.; Turk, D.; Huber, R.; Bode, W.; Edwards, B. F. P. J. Biol. Chem. 1992, 267, 7911); 2tpc, β-trypsin (Marquart, M.; Walter, J.; Deisenhofer, J.; Bode, W.; Huber, R. Acta Crystallogr. sect. B, 1983, 39, 480) ; and 2pka, kallikrein A (Bode, W.; Chen, Z.; Bartels, K.; Kutzbach, C.; Schmidt-Kastner, G.; Bartunik, H. J. Mol. Biol. 1983, 164, 237).
14. Bode, W.; Mayr, I.; Baumann, U.; Huber, R.; Stone, S. R.; Hofsteenge, J. EMBO J. 1989, 8, 3467.
15. Novotny, J.; Bruccoleri, R.; Karplus, M. J. Mol. Biol. 1984, 177, 787.
16. Nikai, T.; Ohara, A.; Komori, Y.; Fox, J. W.; Sugihara, H. Arch. Biochem. Biophys. 1995, 318, 89.
17. Bode, W.; Turk, D.; Stürzebecher, J. Eur. J. Biochem. 1990, 193, 175.
18. Bode, W.; Huber, R.; Rydel, T. J.; Tulinsky, A. In Thrombin: Structure and Function; Berliner, L. J., Ed.; Plenum: NY, 1992; pp 3-61.
19. Pirkle, H. Thromb. Haemostasis 1997 (accepted for publication).
20. Coughlin, S. R.; Vu, T.-K. H.; Hung, D. T.; Wheaton, V. I. J. Clin. Invest. 1992, 89, 351.
21. Full atomic coordinates for the computational structure of crotalase are available at our group Web site (http://www.science.wayne.edu/̃somgroup).