Copper in the structure of Azurin Mutant M121A-Azide (pdb 2tsb)

The binding sites of Copper atom in the structure of Azurin Mutant M121A-Azide (pdb code 2tsb). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2tsb structure was solved by L.-C.TSAI, N.BONANDER, K.HARATA, B.G.KARLSSON, T.VANNGARD, V.LANGER, L.SJOLIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.3 Space group P212121 a (A) 109.700 b (A) 98.700 c (A) 48.100 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.4 Rfree (%) n/a Copper Binding Sites: Copper binding site 1 out of 4 in 2tsb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2tsb. 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: Gly45, A: His46, A: Asn47, A: Cys112, A: Phe114, A: His117, A: Ala121, A: Azi129, conact list: Atom Atom Distance (A) Cu O A:Gly45 3.14 Cu C A:Gly45 4.01 Cu NE2 A:His46 4.27 Cu N A:His46 4.06 Cu CB A:His46 3.49 Cu ND1 A:His46 2.19 Cu CD2 A:His46 4.32 Cu C A:His46 4.78 Cu CE1 A:His46 3.16 Cu CG A:His46 3.19 Cu CA A:His46 3.48 Cu N A:Asn47 4.87 Cu CB A:Cys112 3.55 Cu SG A:Cys112 2.37 Cu CA A:Cys112 4.97 Cu CB A:Phe114 4.29 Cu NE2 A:His117 4.52 Cu CB A:His117 3.70 Cu ND1 A:His117 2.45 Cu CD2 A:His117 4.58 Cu CE1 A:His117 3.37 Cu CG A:His117 3.46 Cu CB A:Ala121 4.52 Cu N1 A:Azi129 2.02 Cu N3 A:Azi129 3.95 Cu N2 A:Azi129 2.92 interactive model: Copper binding site 2 out of 4 in 2tsb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2tsb. 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: Gly45, B: His46, B: Asn47, B: Cys112, B: Phe114, B: His117, B: Ala121, B: Azi129, conact list: Atom Atom Distance (A) Cu O B:Gly45 3.16 Cu C B:Gly45 3.95 Cu NE2 B:His46 4.46 Cu N B:His46 3.96 Cu CB B:His46 2.99 Cu ND1 B:His46 2.31 Cu CD2 B:His46 4.25 Cu C B:His46 4.36 Cu CE1 B:His46 3.48 Cu CG B:His46 2.99 Cu CA B:His46 3.18 Cu N B:Asn47 4.46 Cu CB B:Cys112 3.52 Cu SG B:Cys112 2.33 Cu CA B:Cys112 4.93 Cu CB B:Phe114 4.22 Cu CG B:Phe114 4.85 Cu NE2 B:His117 4.41 Cu CB B:His117 3.42 Cu ND1 B:His117 2.31 Cu CD2 B:His117 4.39 Cu CE1 B:His117 3.33 Cu CG B:His117 3.22 Cu CA B:His117 4.91 Cu CB B:Ala121 4.70 Cu N1 B:Azi129 2.09 Cu N3 B:Azi129 4.06 Cu N2 B:Azi129 3.05 interactive model: Copper binding site 3 out of 4 in 2tsb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 2tsb. 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: C: Gly45, C: His46, C: Asn47, C: Cys112, C: Phe114, C: His117, C: Ala121, C: Azi129, conact list: Atom Atom Distance (A) Cu O C:Gly45 3.14 Cu C C:Gly45 3.95 Cu NE2 C:His46 4.39 Cu N C:His46 4.13 Cu CB C:His46 3.62 Cu ND1 C:His46 2.33 Cu CD2 C:His46 4.44 Cu C C:His46 4.59 Cu CE1 C:His46 3.26 Cu CG C:His46 3.32 Cu CA C:His46 3.41 Cu N C:Asn47 4.62 Cu CB C:Cys112 3.15 Cu SG C:Cys112 2.23 Cu C C:Cys112 4.89 Cu CA C:Cys112 4.54 Cu CB C:Phe114 4.10 Cu CG C:Phe114 4.91 Cu NE2 C:His117 4.41 Cu CB C:His117 3.27 Cu ND1 C:His117 2.33 Cu CD2 C:His117 4.33 Cu CE1 C:His117 3.38 Cu CG C:His117 3.14 Cu CA C:His117 4.71 Cu CB C:Ala121 4.61 Cu N1 C:Azi129 2.00 Cu N3 C:Azi129 4.10 Cu N2 C:Azi129 3.01 interactive model: Copper binding site 4 out of 4 in 2tsb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 2tsb. 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: D: Gly45, D: His46, D: Asn47, D: Cys112, D: Phe114, D: His117, D: Ala121, D: Azi129, conact list: Atom Atom Distance (A) Cu O D:Gly45 3.28 Cu C D:Gly45 4.06 Cu NE2 D:His46 4.26 Cu N D:His46 4.09 Cu CB D:His46 3.32 Cu ND1 D:His46 2.17 Cu CD2 D:His46 4.23 Cu C D:His46 4.52 Cu CE1 D:His46 3.19 Cu CG D:His46 3.07 Cu CA D:His46 3.36 Cu N D:Asn47 4.64 Cu CB D:Cys112 3.45 Cu SG D:Cys112 2.37 Cu CA D:Cys112 4.90 Cu CB D:Phe114 4.32 Cu NE2 D:His117 4.34 Cu CB D:His117 3.99 Cu ND1 D:His117 2.41 Cu CD2 D:His117 4.50 Cu CE1 D:His117 3.14 Cu CG D:His117 3.51 Cu CB D:Ala121 4.64 Cu N1 D:Azi129 2.07 Cu N3 D:Azi129 4.23 Cu N2 D:Azi129 3.11 interactive model: