Factor Xa in complex with a phenylenediamine derivative

Summary for 3Q3K

Related3IIT 2EI6 2EI7 2EI8 1V3X 1WU1
DescriptorActivated factor Xa heavy chain, Factor X light chain, CALCIUM ION, ... (5 entities in total)
Functional Keywordsprotein inhibitor complex, blood coaggulation, cleavage of basic residues, disulfide bond, egf-like domain, hydroxylation, protease, secreted, zymogen, glycoprotein, hydrolase, blood coaggulation factor, serine protease, gamma-carboxyglutamic acid, plasma, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationSecreted P00742 P00742
Total number of polymer chains2
Total molecular weight32739.64
Suzuki, M.,Imai, E. (deposition date: 2010-12-22, release date: 2011-12-28, Last modification date: 2012-06-20)
Primary citation
Yoshikawa, K.,Yoshino, T.,Yokomizo, Y.,Uoto, K.,Naito, H.,Kawakami, K.,Mochizuki, A.,Nagata, T.,Suzuki, M.,Kanno, H.,Takemura, M.,Ohta, T.
Design, synthesis and SAR of novel ethylenediamine and phenylenediamine derivatives as factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 21:2133-2140, 2011
PubMed: 21345673 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2011.01.132
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.188201.4%2.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution