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Structure paper

TitleStructural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
Journal, issue, pagesChemMedChem, Vol. 13, Page 2024-2029, Year 2018
Publish dateApr 13, 2018 (structure data deposition date)
AuthorsMurray, A.B. / Aggarwal, M. / Pinard, M. / Vullo, D. / Patrauchan, M. / Supuran, C.T. / McKenna, R.
External linksChemMedChem / PubMed:30088334
MethodsX-ray diffraction
Resolution1.9 - 2.1 Å
Structure data

PDB-6d2j:
Beta Carbonic anhydrase in complex with thiocyanate
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-6d2m:
Beta Carbonic anhydrase in complex with thiocyanate
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6d2n:
Beta Carbonic anhydrase in complex with a sulfonamide anion
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6d2o:
Beta Carbonic anhydrase in complex with 4-methylimidazole
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SCN:
THIOCYANATE ION

ChemComp-K:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-IMD:
IMIDAZOLE

ChemComp-FUS:
sulfuric diamide

ChemComp-4MZ:
4-METHYLIMIDAZOLE

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsLYASE / Beta CA / carbonic anhydrase / thiocyanate

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