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PDBsum entry 2fou

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Lyase PDB id
2fou
Jmol
Contents
Protein chain
260 a.a.
Ligands
B22 ×2
GOL
Metals
_ZN
_CU
Waters ×285

References listed in PDB file
Key reference
Title Ultrahigh resolution crystal structures of human carbonic anhydrases i and ii complexed with "two-Prong" inhibitors reveal the molecular basis of high affinity.
Authors K.M.Jude, A.L.Banerjee, M.K.Haldar, S.Manokaran, B.Roy, S.Mallik, D.K.Srivastava, D.W.Christianson.
Ref. J Am Chem Soc, 2006, 128, 3011-3018. [DOI no: 10.1021/ja057257n]
PubMed id 16506782
Abstract
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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 Headers