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Structure paper

TitleThe refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships.
Journal, issue, pagesProtein Sci., Vol. 1, Page 426-471, Year 1992
Publish dateMay 1, 1997 (structure data deposition date)
AuthorsBode, W. / Turk, D. / Karshikov, A.
External linksPubMed:1304349
MethodsX-ray diffraction
Resolution1.85 - 2.1 Å
Structure data

PDB-1ai8:
HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-1aix:
HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROVAL
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-T42:
MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID

ChemComp-HOH:
WATER

ChemComp-T19:
PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-FORMYL-DIPHENYLMETHYL)METHY-PRO-BOROVAL

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsBLOOD COAGULATION/HYDROLASE INHIBITOR / SERINE PROTEINASE / BLOOD COAGULATION / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / BLOOD COAGULATION-HYDROLASE INHIBITOR complex

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