Copper in the structure of Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) (pdb 1mjg)

The binding sites of Copper atom in the structure of Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) (pdb code 1mjg). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1mjg structure was solved by T.I.DOUKOV, T.M.IVERSON, J.SERAVALLI, S.W.RAGSDALE, C.L.DRENNAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.2 Space group P1 a (A) 99.749 b (A) 136.973 c (A) 141.532 alpha (°) 101.45 beta (°) 109.05 gamma (°) 103.94 Rfactor (%) 21.5 Rfree (%) 24.1 Copper Binding Sites: Copper binding site 1 out of 4 in 1mjg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1mjg. 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: M: Ile146, M: Val149, M: Cys509, M: Leu527, M: Cys595, M: Gly596, M: Cys597, M: Ni902, M: Act950, M: Sf4900, conact list: Atom Atom Distance (A) Cu CD1 M:Ile146 4.24 Cu CG1 M:Val149 4.85 Cu CB M:Cys509 3.25 Cu SG M:Cys509 2.16 Cu CA M:Cys509 4.61 Cu CD1 M:Leu527 4.84 Cu CB M:Cys595 3.48 Cu SG M:Cys595 2.35 Cu C M:Cys595 4.93 Cu CA M:Cys595 4.73 Cu N M:Gly596 4.29 Cu N M:Cys597 4.09 Cu CB M:Cys597 3.40 Cu SG M:Cys597 2.09 Cu CA M:Cys597 4.46 Cu NI M:Ni902 2.81 Cu O M:Act950 2.79 Cu CH3 M:Act950 3.04 Cu C M:Act950 1.94 Cu FE4 M:Sf4900 3.32 Cu S3 M:Sf4900 3.50 interactive model: Copper binding site 2 out of 4 in 1mjg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1mjg. 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: N: Ile146, N: Val149, N: Cys509, N: Leu527, N: Cys595, N: Gly596, N: Cys597, N: Ni902, N: Act950, N: Sf4900, conact list: Atom Atom Distance (A) Cu CD1 N:Ile146 4.28 Cu CG1 N:Val149 4.96 Cu CB N:Cys509 3.25 Cu SG N:Cys509 2.18 Cu CA N:Cys509 4.60 Cu CD1 N:Leu527 4.78 Cu CB N:Cys595 3.41 Cu SG N:Cys595 2.20 Cu C N:Cys595 4.94 Cu CA N:Cys595 4.70 Cu N N:Gly596 4.31 Cu N N:Cys597 4.16 Cu CB N:Cys597 3.50 Cu SG N:Cys597 2.23 Cu CA N:Cys597 4.54 Cu NI N:Ni902 2.82 Cu O N:Act950 2.71 Cu CH3 N:Act950 2.92 Cu C N:Act950 1.83 Cu S2 N:Sf4900 4.93 Cu FE4 N:Sf4900 3.26 Cu S3 N:Sf4900 3.35 interactive model: Copper binding site 3 out of 4 in 1mjg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1mjg. 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: O: Ile146, O: Val149, O: Cys509, O: Leu527, O: Cys595, O: Gly596, O: Cys597, O: Ni902, O: Act950, O: Sf4900, conact list: Atom Atom Distance (A) Cu CD1 O:Ile146 4.71 Cu CG1 O:Val149 4.57 Cu CB O:Cys509 3.31 Cu SG O:Cys509 2.24 Cu CA O:Cys509 4.65 Cu CD1 O:Leu527 4.90 Cu CB O:Cys595 3.30 Cu SG O:Cys595 2.18 Cu C O:Cys595 4.70 Cu CA O:Cys595 4.55 Cu N O:Gly596 4.09 Cu C O:Gly596 4.91 Cu CA O:Gly596 4.99 Cu N O:Cys597 3.97 Cu CB O:Cys597 3.39 Cu SG O:Cys597 2.14 Cu CA O:Cys597 4.40 Cu NI O:Ni902 2.78 Cu O O:Act950 2.59 Cu CH3 O:Act950 2.84 Cu C O:Act950 1.78 Cu FE4 O:Sf4900 3.54 Cu S3 O:Sf4900 3.68 interactive model: Copper binding site 4 out of 4 in 1mjg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 1mjg. 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: P: Ile146, P: Val149, P: Cys509, P: Leu527, P: Cys595, P: Gly596, P: Cys597, P: Ni902, P: Act950, P: Sf4900, conact list: Atom Atom Distance (A) Cu CD1 P:Ile146 4.48 Cu CG1 P:Val149 4.50 Cu CB P:Cys509 3.24 Cu SG P:Cys509 2.17 Cu CA P:Cys509 4.58 Cu CD1 P:Leu527 4.92 Cu CB P:Cys595 3.37 Cu SG P:Cys595 2.23 Cu C P:Cys595 4.81 Cu CA P:Cys595 4.63 Cu N P:Gly596 4.19 Cu N P:Cys597 4.06 Cu CB P:Cys597 3.42 Cu SG P:Cys597 2.19 Cu CA P:Cys597 4.46 Cu NI P:Ni902 2.77 Cu O P:Act950 2.58 Cu CH3 P:Act950 2.82 Cu C P:Act950 1.78 Cu FE4 P:Sf4900 3.47 Cu S3 P:Sf4900 3.60 interactive model: