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Structure paper

TitleA Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity.
Journal, issue, pagesACS Chem. Biol., Vol. 13, Page 793-800, Year 2018
Publish dateSep 2, 2016 (structure data deposition date)
AuthorsDuBay, K.H. / Iwan, K. / Osorio-Planes, L. / Geissler, P.L. / Groll, M. / Trauner, D. / Broichhagen, J.
External linksACS Chem. Biol. / PubMed:29357237
MethodsX-ray diffraction
Resolution1.2 - 1.5 Å
Structure data

PDB-5t71:
Human carboanhydrase F131C_C206S double mutant in complex with SA-2
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5t72:
Human carboanhydrase F131C_C206S double mutant in complex with 2
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5t74:
Human carboanhydrase F131C_C206S double mutant in complex with 14
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-5t75:
Human carbonic anhydrase II G132C_C206S double mutant in complex with SA-2
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-HGB:
4-(HYDROXYMERCURY)BENZOIC ACID

ChemComp-75W:
4-[(E)-diazenyl]benzene-1-sulfonamide

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-4WA:
4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide

ChemComp-75Y:
2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / photopharmacology; carbonic anhydrase; photochromic tethered ligand; azobenzene; computational screening / LYASE

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