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TitleMachine Learning-Enhanced Quantum Chemistry-Assisted Refinement of the Active Site Structure of Metalloproteins.
Journal, issue, pagesInorg. Chem., Vol. 63, Page 10713-10725, Year 2024
Publish dateJun 20, 2023 (structure data deposition date)
AuthorsGigli, L. / Silva, J.M. / Cerofolini, L. / Macedo, A.L. / Geraldes, C.F.G.C. / Suturina, E.A. / Calderone, V. / Fragai, M. / Parigi, G. / Ravera, E. / Luchinat, C.
External linksInorg. Chem. / PubMed:38805564
MethodsX-ray diffraction
Resolution1.45 Å
Structure data

PDB-8phm:
Oxalate-bound cobalt(II) human carbonic anhydrase II
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

Chemicals

ChemComp-CO:
Unknown entry

ChemComp-HGB:
4-(HYDROXYMERCURY)BENZOIC ACID

ChemComp-OXD:
OXALIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE / hCAII / carbonic anhydrase / oxalate / cobalt

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