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PDBsum entry 3hs4

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Lyase PDB id
3hs4
Jmol
Contents
Protein chain
257 a.a.
Ligands
GOL
AZM ×3
Metals
_ZN
Waters ×404

References listed in PDB file
Key reference
Title High-Resolution structure of human carbonic anhydrase ii complexed with acetazolamide reveals insights into inhibitor drug design.
Authors K.H.Sippel, A.H.Robbins, J.Domsic, C.Genis, M.Agbandje-Mckenna, R.Mckenna.
Ref. Acta Crystallogr Sect F Struct Biol Cryst Commun, 2009, 65, 992-995.
PubMed id 19851004
Abstract
The crystal structure of human carbonic anhydrase II (CA II) complexed with the inhibitor acetazolamide (AZM) has been determined at 1.1 A resolution and refined to an R(cryst) of 11.2% and an R(free) of 14.7%. As observed in previous CA II-inhibitor complexes, AZM binds directly to the zinc and makes several key interactions with active-site residues. The high-resolution data also showed a glycerol molecule adjacent to the AZM in the active site and two additional AZMs that are adventitiously bound on the surface of the enzyme. The co-binding of AZM and glycerol in the active site demonstrate that given an appropriate ring orientation and substituents, an isozyme-specific CA inhibitor may be developed.
Secondary reference #1
Title Refined structure of the acetazolamide complex of human carbonic anhydrase ii at 1.9 a.
Authors J.Vidgren, A.Liljas, N.P.Walker.
Ref. Int J Biol Macromol, 1990, 12, 342-344.
PubMed id 2128470
Abstract
PROCHECK
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