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PDBsum entry 2pow
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References listed in PDB file
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Key reference
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Title
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Carbonic anhydrase inhibitors: inhibition of human, Bacterial, And archaeal isozymes with benzene-1,3-Disulfonamides--Solution and crystallographic studies.
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Authors
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V.Alterio,
G.De simone,
S.M.Monti,
A.Scozzafava,
C.T.Supuran.
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Ref.
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Bioorg Med Chem Lett, 2007,
17,
4201-4207.
[DOI no: ]
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PubMed id
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Abstract
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Three benzene-1,3-disulfonamide derivatives were investigated for their
interaction with 12 mammalian alpha-carbonic anhydrases (CAs, EC 4.2.1.1), and
three bacterial/archaeal CAs belonging to the alpha-, beta-, and gamma-CA class,
respectively. X-ray crystal structure of the three inhibitors in complex with
the dominant human isozyme CA II revealed a particular binding mode within the
cavity. The sulfonamide group in meta-position to the Zn(2+)-coordinated
SO(2)NH(2) moiety was oriented toward the hydrophilic side of the active site
cleft, establishing hydrogen bonds with His64, Asn67, Gln92, and Thr200. The
plane of the phenyl moiety of the inhibitors was rotated by 45 degrees and
tilted by 10 degrees with respect to its most recurrent orientation in other CA
II-sulfonamide complexes.
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