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Structure paper

TitleRoles for ordered and bulk solvent in ligand recognition and docking in two related cavities.
Journal, issue, pagesPlos One, Vol. 8, Page e69153-e69153, Year 2013
Publish dateMar 14, 2013 (structure data deposition date)
AuthorsBarelier, S. / Boyce, S.E. / Fish, I. / Fischer, M. / Goodin, D.B. / Shoichet, B.K.
External linksPlos One / PubMed:23874896
MethodsX-ray diffraction
Resolution1.82 Å
Structure data

PDB-4jmz:
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with N-methyl-1H-benzimidazol-2-amine
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-1M2:
N-methyl-1H-benzimidazol-2-amine

ChemComp-HOH:
WATER

Source
  • saccharomyces cerevisiae (brewer's yeast)
KeywordsOXIDOREDUCTASE / Model system / bulk solvent / ordered waters / docking / ligand binding

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