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Structure paper

TitleA Fluorine Scan of Thrombin Inhibitors to Map the Fluorophilicity/Fluorophobicity of an Enzyme Active Site: Evidence for CF...C=O Interactions.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 42, Page 2507-2511, Year 2003
Publish dateApr 7, 2003 (structure data deposition date)
AuthorsOlsen, J.A. / Banner, D.W. / Seiler, P. / Obst-Sander, U. / D'Arcy, A. / Stihle, M. / Mueller, K. / Diederich, F.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:12800172
MethodsX-ray diffraction
Resolution1.67 Å
Structure data

PDB-1oyt:
COMPLEX OF RECOMBINANT HUMAN THROMBIN WITH A DESIGNED FLUORINATED INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-FSN:
(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / SERINE PROTEINASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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