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Structure paper

TitleUsing neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
Journal, issue, pagesJ. Struct. Biol., Vol. 205, Page 147-154, Year 2019
Publish dateJan 22, 2018 (structure data deposition date)
AuthorsKoruza, K. / Mahon, B.P. / Blakeley, M.P. / Ostermann, A. / Schrader, T.E. / McKenna, R. / Knecht, W. / Fisher, S.Z.
External linksJ. Struct. Biol. / PubMed:30639924
MethodsX-ray diffraction / neutron diffraction
Resolution1.3 - 1.6 Å
Structure data

PDB-6fji:
Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (apo).
Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 1.6 Å

PDB-6fjj:
Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin).
Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 1.5 Å

PDB-6gcy:
Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate complex)
Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-DOD:
DEUTERATED WATER

ChemComp-LSA:
1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE

ChemComp-3QR:
[1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside

Source
  • homo sapiens (human)
KeywordsLYASE / joint X-ray neutron diffraction / carbonic anhydrase / proton transfer

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