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Structure paper

TitleThe active site sulfenic acid ligand in nitrile hydratases can function as a nucleophile.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 136, Page 1186-1189, Year 2014
Publish dateJan 6, 2014 (structure data deposition date)
AuthorsMartinez, S. / Wu, R. / Sanishvili, R. / Liu, D. / Holz, R.
External linksJ. Am. Chem. Soc. / PubMed:24383915
MethodsX-ray diffraction
Resolution1.2 - 1.92 Å
Structure data

PDB-4ob0:
Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Phenyl Boronic Acid
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-4ob1:
Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Butaneboronic Acid via Co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 1.631 Å

PDB-4ob2:
Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Butaneboronic Acid via Crystal Soaking
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-4ob3:
Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila : A Reference Structure to Boronic Acid Inhibition of Nitrile Hydratase
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

Chemicals

ChemComp-CO:
Unknown entry

ChemComp-PBC:
PHENYL BORONIC ACID

ChemComp-HOH:
WATER

ChemComp-BUB:
1-BUTANE BORONIC ACID

ChemComp-GOL:
GLYCEROL

ChemComp-MOH:
METHANOL

Source
  • pseudonocardia thermophila (bacteria)
KeywordsLYASE / Nitrile Hydratase / nucleophile / HYDROLASE / Nulceophile

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