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Structure paper

Title'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 136, Page 5400-5406, Year 2014
Publish dateSep 6, 2013 (structure data deposition date)
AuthorsMartin, D.P. / Blachly, P.G. / Marts, A.R. / Woodruff, T.M. / de Oliveira, C.A. / McCammon, J.A. / Tierney, D.L. / Cohen, S.M.
External linksJ. Am. Chem. Soc. / PubMed:24635441
MethodsX-ray diffraction
Resolution1.65 - 2 Å
Structure data

PDB-4mlt:
Structure of a monodentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-4mlx:
Structure of a bidentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MBO:
MERCURIBENZOIC ACID

ChemComp-TM4:
3-hydroxy-2-methyl-4H-pyran-4-thione

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-TM7:
5-hydroxy-2-methyl-4H-pyran-4-thione

Source
  • homo sapiens (human)
KeywordsLYASE

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