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Structure paper

TitleMolecular Recognition at the Active Site of Factor Xa: Cation-Pi Interactions, Stacking on Planar Peptide Surfaces, and Replacement of Structural Water.
Journal, issue, pagesChemistry, Vol. 18, Page 213-, Year 2012
Publish dateJan 13, 2011 (structure data deposition date)
AuthorsSalonen, L.M. / Holland, M.C. / Kaib, P.S. / Haap, W. / Benz, J. / Mary, J.L. / Kuster, O. / Schweizer, W.B. / Banner, D.W. / Diederich, F.
External linksChemistry / PubMed:22162109
MethodsX-ray diffraction
Resolution1.29 - 1.33 Å
Structure data

PDB-2y5f:
FACTOR XA - CATION INHIBITOR COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 1.29 Å

PDB-2y5g:
FACTOR XA - CATION INHIBITOR COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 1.29 Å

PDB-2y5h:
FACTOR XA - CATION INHIBITOR COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 1.33 Å

Chemicals

ChemComp-XWG:
(3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,2-OXAZOL-3-YL]-2-[3-[1-(2-HYDROXYETHYL)PYRROLIDIN-1-IUM-1-YL]PROPYL]-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZINE-1,3-DIONE

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-FJD:
3-[(3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-2-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM

ChemComp-Y5H:
3-[(3AS,4R,5S,8AS,8BR)-4-[2-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-4-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM

Source
  • homo sapiens (human)
KeywordsBLOOD CLOTTING / PLASMA / ZYMOGEN / HYDROLASE / BLOOD COAGULATION / HYDROXYLATION / SERINE PROTEASE / EGF-LIKE DOMAIN

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