1A61

THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR

Summary for 1A61

Related PRD IDPRD_000619
DescriptorALPHA-THROMBIN (SMALL SUBUNIT), ALPHA-THROMBIN (LARGE SUBUNIT), HIRUGEN, ... (6 entities in total)
Functional Keywordscomplex (serine protease-inhibitor), hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationSecreted, extracellular space P00734 P09945
Secreted P00734
Total number of polymer chains3
Total molecular weight35971.93
Authors
St Charles, R.,Matthews, J.H.,Zhang, E.,Tulinsky, A.,Kahn, M. (deposition date: 1998-03-05, release date: 1998-06-17, Last modification date: 2012-12-12)
Primary citation
St Charles, R.,Matthews, J.H.,Zhang, E.,Tulinsky, A.
Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42:1376-1383, 1999
PubMed: 10212123 (PDB entries with the same primary citation)
DOI: 10.1021/jm980052n
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.2 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers38 0.7% 12.7% 0.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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171588
PDB entries from 2020-11-25