2XBV

Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor

Summary for 2XBV

Related2J34 1WU1 2BQ7 2W3K 2VWO 1NFW 1XKA 2VVV 2GD4 1LPG 1MSX 2VVU 1P0S 2G00 1MQ6 1XKB 1IQE 1G2M 2VH0 1NFY 2UWL 2BOK 1LPZ 1HCG 2W3I 2JKH 1Z6E 2UWP 1G2L 1NFU 1FAX 2BQ6 1IQF 1NL8 1IQG 1IQH 1LQD 2UWO 1C5M 1IOE 1F0S 1F0R 2BMG 1MQ5 1IQN 2BQW 1IQM 1EZQ 2VWL 2VH6 1FJS 1LPK 2J4I 1NFX 2VWN 1IQJ 2J94 2J95 2CJI 2BOH 2J38 2W26 2VVC 1IQI 2VWM 1KYE 1IQK 2WYJ 1V3X 2FZZ 2J2U 1KSN 1IQL 2WYG 2XBW 2XBX 2XC5 2XC0 2XC4 2XBY
DescriptorACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ... (6 entities in total)
Functional Keywordsblood clotting, coagulation factor, hydrolase, hydroxylation, serine protease, zymogen
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationSecreted P00742 P00742
Total number of polymer chains2
Total molecular weight33816.77
Authors
Banner, D.W.,Benz, J.,Schlatter, D.,Anselm, L.,Haap, W. (deposition date: 2010-04-15, release date: 2010-08-04, Last modification date: 2011-07-13)
Primary citation
Anselm, L.,Banner, D.W.,Benz, J.,Groebke Zbinden, K.,Himber, J.,Hilpert, H.,Huber, W.,Kuhn, B.,Mary, J.L.,Otteneder, M.B.,Panday, N.,Ricklin, F.,Stahl, M.,Thomi, S.,Haap, W.
Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20:5313-, 2010
PubMed: 20650636 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMCL.2010.06.126
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.66 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.233201.3%9.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution