Copper in the structure of Crystal Structure Of H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase With Nitrite Bound (pdb 1wa2)

The binding sites of Copper atom in the structure of Crystal Structure Of H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase With Nitrite Bound (pdb code 1wa2). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1wa2 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) 37.5-1.7 Space group H3 a (A) 89.641 b (A) 89.641 c (A) 143.569 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18 Rfree (%) 21 Copper Binding Sites: Copper binding site 1 out of 2 in 1wa2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1wa2. 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 4.42 Cu O X:Pro88 4.16 Cu C X:Pro88 4.91 Cu NE2 X:His89 4.18 Cu N X:His89 4.86 Cu CB X:His89 3.50 Cu ND1 X:His89 2.11 Cu CD2 X:His89 4.25 Cu C X:His89 4.88 Cu CE1 X:His89 3.04 Cu CG X:His89 3.14 Cu CA X:His89 3.86 Cu N X:Asn90 4.71 Cu CB X:Cys130 3.17 Cu SG X:Cys130 2.13 Cu CA X:Cys130 4.57 Cu CD X:Pro132 4.35 Cu CG X:Pro132 3.97 Cu NE2 X:His139 4.05 Cu CB X:His139 3.49 Cu ND1 X:His139 2.05 Cu CD2 X:His139 4.14 Cu CE1 X:His139 2.94 Cu CG X:His139 3.07 Cu CA X:His139 4.69 Cu CB X:Met144 4.57 Cu CE X:Met144 3.57 Cu CG X:Met144 4.06 Cu SD X:Met144 2.56 interactive model: Copper binding site 2 out of 2 in 1wa2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1wa2. 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: No21341, X: Hoh2114, conact list: Atom Atom Distance (A) Cu OD2 X:Asp92 3.78 Cu OD1 X:Asp92 4.66 Cu CG X:Asp92 4.38 Cu NE2 X:His94 2.01 Cu ND1 X:His94 4.04 Cu CD2 X:His94 3.13 Cu CE1 X:His94 2.86 Cu CG X:His94 4.19 Cu NE2 X:His129 2.05 Cu ND1 X:His129 4.18 Cu CD2 X:His129 2.96 Cu CE1 X:His129 3.11 Cu CG X:His129 4.14 Cu O1 X:No21341 2.42 Cu O2 X:No21341 1.86 Cu N X:No21341 2.41 Cu O X:Hoh2114 4.94 interactive model: