Copper in the structure of Crystal Structure Of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase (pdb 1wae)

The binding sites of Copper atom in the structure of Crystal Structure Of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase (pdb code 1wae). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1wae structure was solved by M.J.ELLIS, S.V.ANTONYUK, R.W.STRANGE, G.SAWERS, R.R.EADY, S.S.HASNAIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.9 Space group H3 a (A) 91.206 b (A) 91.206 c (A) 145.866 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 20.1 Rfree (%) 22.6 Copper Binding Sites: Copper binding site 1 out of 2 in 1wae Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1wae. 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: A: Met56, A: Pro88, A: His89, A: Asn90, A: Cys130, A: Pro132, A: His139, A: Met144, conact list: Atom Atom Distance (A) Cu SD A:Met56 4.48 Cu O A:Pro88 4.18 Cu C A:Pro88 4.94 Cu NE2 A:His89 4.17 Cu N A:His89 4.91 Cu CB A:His89 3.36 Cu ND1 A:His89 2.08 Cu CD2 A:His89 4.19 Cu C A:His89 4.97 Cu CE1 A:His89 3.07 Cu CG A:His89 3.05 Cu CA A:His89 3.93 Cu N A:Asn90 4.82 Cu O A:Cys130 4.92 Cu CB A:Cys130 3.23 Cu SG A:Cys130 2.12 Cu C A:Cys130 4.81 Cu CA A:Cys130 4.60 Cu CD A:Pro132 4.50 Cu CG A:Pro132 4.01 Cu NE2 A:His139 4.04 Cu CB A:His139 3.59 Cu ND1 A:His139 2.02 Cu CD2 A:His139 4.19 Cu CE1 A:His139 2.88 Cu CG A:His139 3.13 Cu CA A:His139 4.81 Cu CB A:Met144 4.65 Cu CE A:Met144 3.53 Cu CG A:Met144 4.08 Cu SD A:Met144 2.54 interactive model: Copper binding site 2 out of 2 in 1wae Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1wae. 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: A: Asp92, A: His94, A: Val129, conact list: Atom Atom Distance (A) Cu OD2 A:Asp92 3.75 Cu OD1 A:Asp92 4.98 Cu CG A:Asp92 4.54 Cu NE2 A:His94 2.11 Cu ND1 A:His94 4.02 Cu CD2 A:His94 3.24 Cu CE1 A:His94 2.84 Cu CG A:His94 4.24 Cu CG2 A:Val129 4.13 Cu CG1 A:Val129 4.91 interactive model: