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PDBsum entry 2fos
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References listed in PDB file
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Key reference
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Title
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Ultrahigh resolution crystal structures of human carbonic anhydrases i and ii complexed with "two-Prong" inhibitors reveal the molecular basis of high affinity.
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Authors
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K.M.Jude,
A.L.Banerjee,
M.K.Haldar,
S.Manokaran,
B.Roy,
S.Mallik,
D.K.Srivastava,
D.W.Christianson.
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Ref.
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J Am Chem Soc, 2006,
128,
3011-3018.
[DOI no: ]
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PubMed id
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Abstract
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The atomic-resolution crystal structures of human carbonic anhydrases I and II
complexed with "two-prong" inhibitors are reported. Each inhibitor contains a
benzenesulfonamide prong and a cupric iminodiacetate (IDA-Cu(2+)) prong
separated by linkers of different lengths and compositions. The ionized NH(-)
group of each benzenesulfonamide coordinates to the active site Zn(2+) ion; the
IDA-Cu(2+) prong of the tightest-binding inhibitor, BR30, binds to H64 of CAII
and H200 of CAI. This work provides the first evidence verifying the structural
basis of nanomolar affinity measured for two-prong inhibitors targeting the
carbonic anhydrases.
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