2VH0

Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs

Summary for 2VH0

Related2J34 1WU1 2BQ7 1IOE 1F0S 1NFW 1XKA 2GD4 1F0R 1MSX 1LPG 1P0S 2G00 2BMG 1MQ5 1IQN 1MQ6 1XKB 2BQW 1IQM 1EZQ 1IQE 1G2M 1FJS 1LPK 2J4I 1NFY 2UWL 2BOK 1NFX 1LPZ 1HCG 2J94 1IQJ 1Z6E 2UWP 2J95 2CJI 2J38 2BOH 1G2L 1NFU 1IQI 2BQ6 1FAX 1IQF 1NL8 1KYE 1IQG 1IQK 1IQH 1V3X 1LQD 2FZZ 2J2U 2UWO 1KSN 1C5M 1IQL
DescriptorACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, CALCIUM ION, ... (6 entities in total)
Functional Keywordsserine protease, egf-like domain, blood coagulation, polymorphism, glycoprotein, hydroxylation, gamma-carboxyglutamic acid, calcium, zymogen, complex, protease, hydrolase, cleavage on pair of basic residues
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains2
Total molecular weight44351.82
Authors
Primary citation
Young, R.J.,Borthwick, A.D.,Brown, D.,Burns-Kurtis, C.L.,Campbell, M.,Chan, C.,Charbaut, M.,Convery, M.A.,Diallo, H.,Hortense, E.,Irving, W.R.,Kelly, H.A.,King, N.P.,Kleanthous, S.,Mason, A.M.,Pateman, A.J.,Patikis, A.N.,Pinto, I.L.,Pollard, D.R.,Senger, S.,Shah, G.P.,Toomey, J.R.,Watson, N.S.,Weston, H.E.,Zhou, P.
Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs.
Bioorg. Med. Chem. Lett., 18:28-33, 2008
PubMed: 18053714 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2007.11.019
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.7 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliers20 0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution