Copper in the structure of Atomic Resolution Structure Of Resting State of the Achromobacter Cycloclastes Cu Nitrite Reductase (pdb 2bw4)

The binding sites of Copper atom in the structure of Atomic Resolution Structure Of Resting State of the Achromobacter Cycloclastes Cu Nitrite Reductase (pdb code 2bw4). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2bw4 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) 19.5-0.9 Space group P213 a (A) 95.414 b (A) 95.414 c (A) 95.414 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 11.7 Rfree (%) 13.4 Copper Binding Sites: Copper binding site 1 out of 2 in 2bw4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2bw4. 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 4.90 Cu CB A:Met62 4.99 Cu SD A:Met62 4.41 Cu O A:Leu94 4.25 Cu C A:Leu94 4.96 Cu NE2 A:His95 4.17 Cu N A:His95 4.87 Cu CB A:His95 3.48 Cu ND1 A:His95 2.04 Cu CD2 A:His95 4.22 Cu C A:His95 4.87 Cu CE1 A:His95 3.00 Cu CG A:His95 3.11 Cu CA A:His95 3.85 Cu N A:Asn96 4.71 Cu CB A:Cys136 3.18 Cu SG A:Cys136 2.23 Cu CA A:Cys136 4.60 Cu CD A:Pro138 4.62 Cu CG A:Pro138 4.28 Cu NE2 A:His145 4.13 Cu CB A:His145 3.53 Cu ND1 A:His145 2.03 Cu CD2 A:His145 4.22 Cu CE1 A:His145 2.95 Cu CG A:His145 3.12 Cu CA A:His145 4.74 Cu CB A:Met150 4.35 Cu CE A:Met150 3.28 Cu CG A:Met150 3.88 Cu SD A:Met150 2.49 interactive model: Copper binding site 2 out of 2 in 2bw4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2bw4. 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: Hoh2275, A: Hoh2276, A: Hoh2277, conact list: Atom Atom Distance (A) Cu OD2 A:Asp98 3.80 Cu OD2 A:Asp98 4.96 Cu OD1 A:Asp98 4.65 Cu CG A:Asp98 4.42 Cu NE2 A:His100 2.01 Cu ND1 A:His100 4.12 Cu CD2 A:His100 3.11 Cu CE1 A:His100 2.93 Cu CG A:His100 4.23 Cu NE2 A:His135 2.00 Cu ND1 A:His135 4.16 Cu CD2 A:His135 2.94 Cu CE1 A:His135 3.05 Cu CG A:His135 4.13 Cu O A:Hoh2275 4.20 Cu O A:Hoh2276 2.24 Cu O A:Hoh2277 4.19 interactive model: