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TitleCrystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 127, Page 11029-11036, Year 2005
Publish dateApr 21, 2005 (structure data deposition date)
AuthorsHaviv, H. / Wong, D.M. / Greenblatt, H.M. / Carlier, P.R. / Pang, Y.P. / Silman, I. / Sussman, J.L.
External linksJ. Am. Chem. Soc. / PubMed:16076210
MethodsX-ray diffraction
Resolution2.1 - 2.3 Å
Structure data

PDB-1zgb:
Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-1zgc:
Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-A1E:
(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE

ChemComp-HOH:
WATER

ChemComp-A2E:
(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE

Source
  • torpedo californica (Pacific electric ray)
KeywordsHYDROLASE / SERINE-HYDROLASE / PROTEIN-INHIBITOR COMPLEX / ENANTIOMERIC SELECTIVITY / Israel Structural Proteomics Center / ISPC / Structural Genomics

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