Copper in the structure of Crystal Structure Of H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase (pdb 1wa1)

The binding sites of Copper atom in the structure of Crystal Structure Of H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase (pdb code 1wa1). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1wa1 structure was solved by M.L.BARRETT, R.L.HARRIS, S.V.ANTONYUK, R.W.STRANGE, M.A.HOUGH, R.R.EADY, G.SAWERS, S.S.HASNAIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 69.0-1.6 Space group H3 a (A) 90.156 b (A) 90.156 c (A) 143.677 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 16.6 Rfree (%) 19.1 Copper Binding Sites: Copper binding site 1 out of 2 in 1wa1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1wa1. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: X: Met56, X: Pro88, X: His89, X: Asn90, X: Cys130, X: Pro132, X: His139, X: Met144, conact list: Atom Atom Distance (A) Cu SD X:Met56 4.45 Cu O X:Pro88 4.13 Cu C X:Pro88 4.87 Cu NE2 X:His89 4.17 Cu N X:His89 4.81 Cu CB X:His89 3.49 Cu ND1 X:His89 2.10 Cu CD2 X:His89 4.23 Cu C X:His89 4.87 Cu CE1 X:His89 3.03 Cu CG X:His89 3.13 Cu CA X:His89 3.85 Cu N X:Asn90 4.71 Cu CB X:Cys130 3.15 Cu SG X:Cys130 2.16 Cu CA X:Cys130 4.54 Cu CD X:Pro132 4.36 Cu CG X:Pro132 3.99 Cu NE2 X:His139 4.10 Cu CB X:His139 3.47 Cu ND1 X:His139 2.04 Cu CD2 X:His139 4.18 Cu CE1 X:His139 2.95 Cu CG X:His139 3.09 Cu CA X:His139 4.70 Cu CB X:Met144 4.53 Cu CE X:Met144 3.44 Cu CG X:Met144 4.11 Cu SD X:Met144 2.60 interactive model: Copper binding site 2 out of 2 in 1wa1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1wa1. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: X: Asp92, X: His94, X: His129, X: Hoh2136, conact list: Atom Atom Distance (A) Cu OD2 X:Asp92 3.72 Cu OD1 X:Asp92 4.73 Cu CG X:Asp92 4.38 Cu NE2 X:His94 2.04 Cu ND1 X:His94 4.06 Cu CD2 X:His94 3.16 Cu CE1 X:His94 2.88 Cu CG X:His94 4.22 Cu NE2 X:His129 1.99 Cu ND1 X:His129 4.12 Cu CD2 X:His129 2.91 Cu CE1 X:His129 3.05 Cu CG X:His129 4.09 Cu O X:Hoh2136 2.00 interactive model: