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Structure paper

TitleStructural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 7527-7535, Year 2013
Publish dateMay 1, 2013 (structure data deposition date)
AuthorsYoshimoto, N. / Itoh, T. / Inaba, Y. / Ishii, H. / Yamamoto, K.
External linksJ. Med. Chem. / PubMed:24010887
MethodsX-ray diffraction
Resolution1.65 - 2.154 Å
Structure data

PDB-3wab:
Carboxypeptidase B in complex with DD2
Method: X-RAY DIFFRACTION / Resolution: 2.154 Å

PDB-3wc5:
Carboxypeptidase B in complex with DD9
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3wc6:
Carboxypeptidase B in complex with 2nd zinc
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-3wc7:
Carboxypeptidase B in complex with EF6265
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-DDW:
(2R)-7-amino-2-(sulfanylmethyl)heptanoic acid

ChemComp-CAC:
CACODYLATE ION

ChemComp-HOH:
WATER

ChemComp-DDK:
(2R)-7-amino-2-(selanylmethyl)heptanoic acid

ChemComp-ACT:
ACETATE ION

ChemComp-EF1:
(2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid

Source
  • sus scrofa (pig)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / CPB inhibitor / second zinc / HYDROLASE-HYDROLASE INHIBITOR complex / selen / organoselenium / selenium / selenol / HYDROLASE / cpb / EF6265

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