Copper in the structure of Atomic Resolution Structure of Achromobacter Cycloclastes Cu Nitrite Reductase With Endogenously Bound Nitrite and No (pdb 2bwd)

The binding sites of Copper atom in the structure of Atomic Resolution Structure of Achromobacter Cycloclastes Cu Nitrite Reductase With Endogenously Bound Nitrite and No (pdb code 2bwd). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2bwd structure was solved by 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) 30.0-1.1 Space group P213 a (A) 96.237 b (A) 96.237 c (A) 96.237 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 11.3 Rfree (%) 14.4 Copper Binding Sites: Copper binding site 1 out of 2 in 2bwd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2bwd. 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: Met62, A: Leu94, A: His95, A: Asn96, A: Cys136, A: Pro138, A: His145, A: Met150, conact list: Atom Atom Distance (A) Cu CB A:Met62 4.89 Cu SD A:Met62 4.45 Cu O A:Leu94 4.31 Cu NE2 A:His95 4.18 Cu N A:His95 4.91 Cu CB A:His95 3.47 Cu ND1 A:His95 2.04 Cu CD2 A:His95 4.21 Cu C A:His95 4.88 Cu CE1 A:His95 3.03 Cu CG A:His95 3.09 Cu CA A:His95 3.88 Cu N A:Asn96 4.71 Cu CB A:Cys136 3.22 Cu SG A:Cys136 2.21 Cu CA A:Cys136 4.66 Cu CD A:Pro138 4.73 Cu CG A:Pro138 4.35 Cu NE2 A:His145 4.10 Cu CB A:His145 3.55 Cu ND1 A:His145 2.04 Cu CD2 A:His145 4.19 Cu CE1 A:His145 2.94 Cu CG A:His145 3.12 Cu CA A:His145 4.77 Cu CB A:Met150 4.37 Cu CE A:Met150 3.30 Cu CG A:Met150 3.91 Cu SD A:Met150 2.48 interactive model: Copper binding site 2 out of 2 in 2bwd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2bwd. 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: Asp98, A: His100, A: His135, A: Hoa506, A: No2507, A: Hoh2235, A: Hoh2238, A: Hoh2563, conact list: Atom Atom Distance (A) Cu OD2 A:Asp98 3.91 Cu OD1 A:Asp98 4.81 Cu CG A:Asp98 4.56 Cu NE2 A:His100 2.06 Cu ND1 A:His100 4.15 Cu CD2 A:His100 3.12 Cu CE1 A:His100 3.00 Cu CG A:His100 4.25 Cu NE2 A:His135 2.09 Cu ND1 A:His135 4.22 Cu CD2 A:His135 3.09 Cu CE1 A:His135 3.09 Cu CG A:His135 4.25 Cu O A:Hoa506 2.05 Cu N A:Hoa506 1.97 Cu O1 A:No2507 2.14 Cu O2 A:No2507 2.12 Cu N A:No2507 2.11 Cu O A:Hoh2235 4.26 Cu O A:Hoh2238 3.83 Cu O A:Hoh2563 4.17 interactive model: