4UE7

Thrombin in complex with 1-amidinopiperidine

Summary for 4UE7

DescriptorTHROMBIN HEAVY CHAIN, HIRUDIN VARIANT-2, THROMBIN LIGHT CHAIN, ... (12 entities in total)
Functional Keywordshydrolase, hydrolase inhibitor complex, serine protease, blood coagulation, blood clotting, convertion of fibrinogen to fibrin, blood clotting inhibitor, thrombin inhibitor, glycosylation, blood
Biological sourceHOMO SAPIENS (HUMAN)
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Cellular locationSecreted, extracellular space P00734 P00734
Secreted P09945
Total number of polymer chains3
Total molecular weight35706.43
Authors
Ruehmann, E.,Heine, A.,Klebe, G. (deposition date: 2014-12-16, release date: 2015-08-26, Last modification date: 2015-09-23)
Primary citation
Ruehmann, E.,Betz, M.,Heine, A.,Klebe, G.
Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.
J.Med.Chem., 58:6960-, 2015
PubMed: 26270568 (PDB entries with the same primary citation)
DOI: 10.1021/ACS.JMEDCHEM.5B00812
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.129 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.138200.4%3.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution