Copper in the structure of Pseudoazurin M16F (pdb 2jkw)

The binding sites of Copper atom in the structure of Pseudoazurin M16F (pdb code 2jkw). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2jkw structure was solved by S.YANAGISAWA, P.B.CROWLEY, S.J.FIRBANK, A.T.LAWLER, D.M.HUNTER, W.MCFARLANE, C.LI, T.KOHZUMA, M.J.BANFIELD, C.DENNISON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 45.3-1.6 Space group P1211 a (A) 34.930 b (A) 90.540 c (A) 35.220 alpha (°) 90.00 beta (°) 98.55 gamma (°) 90.00 Rfactor (%) 13.1 Rfree (%) 18 Copper Binding Sites: Copper binding site 1 out of 2 in 2jkw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2jkw. 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: Phe16, A: Gly39, A: His40, A: Asn41, A: Cys78, A: Pro80, A: His81, A: Met86, conact list: Atom Atom Distance (A) Cu CD1 A:Phe16 4.99 Cu O A:Gly39 4.00 Cu C A:Gly39 4.53 Cu NE2 A:His40 4.14 Cu N A:His40 4.50 Cu CB A:His40 3.55 Cu ND1 A:His40 2.09 Cu CD2 A:His40 4.25 Cu C A:His40 4.78 Cu CE1 A:His40 2.98 Cu CG A:His40 3.16 Cu CA A:His40 3.69 Cu N A:Asn41 4.71 Cu CB A:Cys78 3.17 Cu SG A:Cys78 2.24 Cu CA A:Cys78 4.62 Cu CD A:Pro80 4.95 Cu CG A:Pro80 4.49 Cu NE2 A:His81 4.14 Cu N A:His81 4.38 Cu CB A:His81 3.37 Cu ND1 A:His81 2.04 Cu CD2 A:His81 4.18 Cu CE1 A:His81 3.01 Cu CG A:His81 3.05 Cu CA A:His81 4.50 Cu CB A:Met86 4.48 Cu CE A:Met86 3.46 Cu CG A:Met86 4.02 Cu SD A:Met86 2.64 interactive model: Copper binding site 2 out of 2 in 2jkw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2jkw. 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: B: Phe16, B: Gly39, B: His40, B: Asn41, B: Cys78, B: Pro80, B: His81, B: Met86, conact list: Atom Atom Distance (A) Cu CD2 B:Phe16 4.97 Cu O B:Gly39 4.02 Cu C B:Gly39 4.49 Cu NE2 B:His40 4.14 Cu N B:His40 4.41 Cu CB B:His40 3.47 Cu ND1 B:His40 2.07 Cu CD2 B:His40 4.21 Cu C B:His40 4.76 Cu CE1 B:His40 3.01 Cu CG B:His40 3.10 Cu CA B:His40 3.63 Cu N B:Asn41 4.70 Cu CB B:Cys78 3.15 Cu SG B:Cys78 2.19 Cu CA B:Cys78 4.58 Cu CG B:Pro80 4.44 Cu NE2 B:His81 4.16 Cu N B:His81 4.38 Cu CB B:His81 3.37 Cu ND1 B:His81 2.07 Cu CD2 B:His81 4.19 Cu CE1 B:His81 3.05 Cu CG B:His81 3.06 Cu CA B:His81 4.50 Cu CB B:Met86 4.56 Cu CE B:Met86 3.43 Cu CG B:Met86 4.09 Cu SD B:Met86 2.71 interactive model: