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Structure paper

TitleEnzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Journal, issue, pagesStructure, Vol. 4, Page 1353-1362, Year 1996
Publish dateOct 16, 1996 (structure data deposition date)
AuthorsEngh, R.A. / Brandstetter, H. / Sucher, G. / Eichinger, A. / Baumann, U. / Bode, W. / Huber, R. / Poll, T. / Rudolph, R. / von der Saal, W.
External linksStructure / PubMed:8939759
MethodsX-ray diffraction
Resolution2.5 - 2.8 Å
Structure data

PDB-1uvs:
BOVINE THROMBIN--BM51.1011 COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-1uvt:
BOVINE THROMBIN--BM14.1248 COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-1uvu:
BOVINE THROMBIN--BM12.1700 COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-I11:
[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE

ChemComp-HOH:
WATER

ChemComp-I48:
N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE

ChemComp-DCH:
3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER

Source
  • homo sapiens (human)
  • bos taurus (domestic cattle)
KeywordsSERINE PROTEASE / HYDROLASE / THROMBIN / BLOOD COAGULATION

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