2BOH

Crystal structure of factor Xa in complex with compound "1"

Summary for 2BOH

• Entry DOI: 10.2210/pdb2boh/pdb
• Related: 1C5M 1EZQ 1F0R 1F0S 1FAX 1FJS 1FXY 1G2L 1G2M 1HCG 1IOE 1IQE 1IQF 1IQG 1IQH 1IQI 1IQJ 1IQK 1IQL 1IQM 1IQN 1KSN 1KYE 1LPG 1LPK 1LPZ 1LQD 1MQ5 1MQ6 1MSX 1NFU 1NFW 1NFX 1NFY 1NL8 1P0S 1V3X 1XKA 1XKB 2BMG
• Descriptor: COAGULATION FACTOR XA, CALCIUM ION, 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, ... (5 entities in total)
• Functional Keywords: hydrolase/inhibitor, complex (hydrolase-inhibitor), protein-inhibitor complex, blood coagulation factor, serine proteinase, rational drug design, calcium-binding, egf-like domain, gamma-carboxyglutamic acid, glycoprotein, hydrolase, hydroxylation, plasma, polymorphism, protease, serine protease, vitamin k, zymogen, hydrolase-inhibitor complex
• Biological source: HOMO SAPIENS (HUMAN); More
• Total number of polymer chains: 2
• Total formula weight: 44284.49

Authors

Nazare, M.,Will, D.W.,Matter, H.,Schreuder, H.,Ritter, K.,Urmann, M.,Essrich, M.,Bauer, A.,Wagner, M.,Czech, J.,Laux, V.,Wehner, V. (deposition date: 2005-04-11, release date: 2006-04-05, Last modification date: 2023-12-13)

• Primary citation: Nazare, M.,Will, D.W.,Matter, H.,Schreuder, H.,Ritter, K.,Urmann, M.,Essrich, M.,Bauer, A.,Wagner, M.,Czech, J.,Lorenz, M.,Laux, V.,Wehner, V.; Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.; J.Med.Chem., 48:4511-, 2005; PubMed: 15999990; DOI: 10.1021/JM0490540

Experimental method

X-RAY DIFFRACTION (2.2 Å)