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PDBsum entry 2hoc

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Lyase PDB id
2hoc
Jmol
Contents
Protein chain
258 a.a.
Ligands
1CN ×2
MBO
GOL
Metals
_ZN
Waters ×161

References listed in PDB file
Key reference
Title Carbonic anhydrase inhibitors: X-Ray crystallographic studies for the binding of 5-Amino-1,3,4-Thiadiazole-2-Sulfonamide and 5-(4-Amino-3-Chloro-5-Fluorophenylsulfonamido)-1,3,4-Thiadiazole-2-Sulfonamide to human isoform ii.
Authors V.Menchise, G.De simone, A.Di fiore, A.Scozzafava, C.T.Supuran.
Ref. Bioorg Med Chem Lett, 2006, 16, 6204-6208. [DOI no: 10.1016/j.bmcl.2006.09.022]
PubMed id 17000110
Abstract
The X-ray crystal structures of 5-amino-1,3,4-thiadiazole-2-sulfonamide (the acetazolamide precursor) and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide in complex with the human isozyme II of carbonic anhydrase (CA, EC 4.2.1.1) are reported. The thiadiazole-sulfonamide moiety of the two compounds binds in the canonic manner to the zinc ion and interacts with Thr199, Glu106, and Thr200. The substituted phenyl tail of the second inhibitor was positioned in the hydrophobic part of the binding pocket, at van der Waals distance from Phe131, Val 135, Val141, Leu198, Pro202, and Leu204. These structures may help in the design of better inhibitors of these widespread zinc-containing enzymes.
Secondary reference #1
Title Refined structure of human carbonic anhydrase ii at 2.0 a resolution.
Authors A.E.Eriksson, T.A.Jones, A.Liljas.
Ref. Proteins, 1988, 4, 274-282.
PubMed id 3151019
Abstract
PROCHECK
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