2CJI

Crystal structure of a Human Factor Xa inhibitor complex

Summary for 2CJI

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 2GD4
DescriptorACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, CALCIUM ION, ... (5 entities in total)
Functional Keywordsblood coagulation, gamma-carboxyglutamic acid, hydroxylation, egf-like domain, serine protease, calcium, zymogen, protease, hydrolase, glycoprotein, polymorphism
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationSecreted P00742 P00742
Total number of polymer chains2
Total molecular weight44267.42
Authors
Primary citation
Watson, N.S.,Brown, D.,Campbell, M.,Chan, C.,Chaudry, L.,Convery, M.A.,Fenwick, R.,Hamblin, J.N.,Haslam, C.,Kelly, H.A.,King, N.P.,Kurtis, C.L.,Leach, A.R.,Manchee, G.R.,Mason, A.M.,Mitchell, C.,Patel, C.,Patel, V.K.,Senger, S.,Shah, G.P.,Weston, H.E.,Whitworth, C.,Young, R.J.
Design and Synthesis of Orally Active Pyrrolidin-2-One-Based Factor Xa Inhibitors
Bioorg.Med.Chem.Lett., 16:3784-, 2006
PubMed: 16697194 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMCL.2006.04.053
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.1 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.249100.5%3.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution