2J94

CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX

Summary for 2J94

Related1C5M 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 1WU1 1XKA 1XKB 1Z6E 2BMG 2BOH 2BOK 2BQ6 2BQ7 2BQW 2CJI 2FZZ 2G00 2GD4 2J2U 2J34 2J38 2J4I 2J95
DescriptorCOAGULATION FACTOR X, 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, ... (5 entities in total)
Functional Keywordsgamma- carboxyglutamic acid, serine protease, egf-like domain, blood coagulation, polymorphism, glycoprotein, hydroxylation, gamma-carboxyglutamic acid, calcium, zymogen, complex, protease, hydrolase
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationSecreted P00742 P00742
Total number of polymer chains2
Total molecular weight44290.44
Authors
Primary citation
Chan, C.,Borthwick, A.D.,Brown, D.,Burns-Kurtis, C.L.,Campbell, M.,Chaudry, L.,Chung, C.W.,Convery, M.A.,Hamblin, J.N.,Johnstone, L.,Kelly, H.A.,Kleanthous, S.,Patikis, A.,Patel, C.,Pateman, A.J.,Senger, S.,Shah, G.P.,Toomey, J.R.,Watson, N.S.,Weston, H.E.,Whitworth, C.,Young, R.J.,Zhou, P.
Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50:1546-, 2007
PubMed: 17338508 (PDB entries with the same primary citation)
DOI: 10.1021/JM060870C
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.1 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.237300.4%5.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution