The binding sites of Zinc atom in the structure of X-Ray Crystallographic Structure of A Complex Between Human Carbonic Anhydrase II and A New Topical Inhibitor, Trifluoromethane Sulphonamide (pdb code 1bcd). This binding sites where shown with 5.0 Angstroms radius around Zinc atom. The 1bcd structure was solved by K.HAKANSSON, A.LILJAS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 1.9 | Space group | P1211 | a (A) | 42.700 | b (A) | 41.700 | c (A) | 73.000 | alpha (°) | 90.00 | beta (°) | 104.60 | gamma (°) | 90.00 | Rfactor (%) | n/a | Rfree (%) | n/a |
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Zinc binding site 1 out of 1 in 1bcd
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Zinc in the PDB 1bcd. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His94, A: His96, A: Glu106, A: His119, A: Thr199, A: Fms500, | conact list:
Atom | Atom | Distance (A) | Zn | NE2 A:His94 | 2.17 | Zn | ND1 A:His94 | 4.22 | Zn | CD2 A:His94 | 3.08 | Zn | CE1 A:His94 | 3.12 | Zn | CG A:His94 | 4.21 | Zn | NE2 A:His96 | 2.25 | Zn | ND1 A:His96 | 4.32 | Zn | CD2 A:His96 | 3.01 | Zn | CE1 A:His96 | 3.33 | Zn | CG A:His96 | 4.21 | Zn | OE1 A:Glu106 | 4.10 | Zn | CD A:Glu106 | 5.00 | Zn | NE2 A:His119 | 4.02 | Zn | CB A:His119 | 3.64 | Zn | ND1 A:His119 | 2.07 | Zn | CD2 A:His119 | 4.17 | Zn | CE1 A:His119 | 2.87 | Zn | CG A:His119 | 3.15 | Zn | OG1 A:Thr199 | 4.03 | Zn | S A:Fms500 | 3.22 | Zn | O2 A:Fms500 | 3.47 | Zn | N A:Fms500 | 2.10 | Zn | O1 A:Fms500 | 4.43 | Zn | C A:Fms500 | 3.81 | Zn | F2 A:Fms500 | 4.98 | Zn | F3 A:Fms500 | 4.28 | Zn | F1 A:Fms500 | 3.38 |
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