Copper in the structure of Native Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl- Coa Synthase From Moorella Thermoacetica, Water-Bound C-Cluster. (pdb 3i01)

The binding sites of Copper atom in the structure of Native Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl- Coa Synthase From Moorella Thermoacetica, Water-Bound C-Cluster. (pdb code 3i01). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3i01 structure was solved by Y.KUNG, T.I.DOUKOV, C.L.DRENNAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 37.0-2.1 Space group P1 a (A) 99.651 b (A) 136.870 c (A) 140.864 alpha (°) 101.26 beta (°) 109.11 gamma (°) 104.08 Rfactor (%) 18.6 Rfree (%) 24.2 Copper Binding Sites: Copper binding site 1 out of 4 in 3i01 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3i01. 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: Cys509, M: His516, M: Leu527, M: Cys595, M: Gly596, M: Cys597, M: Sf4900, M: Ni951, M: Act953, conact list: Atom Atom Distance (A) Cu CD1 M:Ile146 4.07 Cu CB M:Cys509 3.17 Cu SG M:Cys509 2.32 Cu CA M:Cys509 4.59 Cu CD2 M:His516 4.86 Cu CD1 M:Leu527 4.55 Cu CB M:Cys595 3.47 Cu SG M:Cys595 2.27 Cu CA M:Cys595 4.76 Cu N M:Gly596 4.67 Cu N M:Cys597 4.35 Cu CB M:Cys597 3.66 Cu SG M:Cys597 2.29 Cu CA M:Cys597 4.62 Cu S1 M:Sf4900 4.79 Cu FE1 M:Sf4900 4.67 Cu FE2 M:Sf4900 4.71 Cu S2 M:Sf4900 4.58 Cu FE4 M:Sf4900 2.92 Cu S3 M:Sf4900 2.96 Cu NI M:Ni951 2.96 Cu O M:Act953 3.38 Cu CH3 M:Act953 3.83 Cu C M:Act953 2.70 interactive model: Copper binding site 2 out of 4 in 3i01 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3i01. 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: Cys509, N: Leu527, N: Cys595, N: Gly596, N: Cys597, N: Sf4900, N: Ni951, N: Act953, conact list: Atom Atom Distance (A) Cu CD1 N:Ile146 3.85 Cu CB N:Cys509 3.18 Cu SG N:Cys509 2.24 Cu CA N:Cys509 4.58 Cu CD1 N:Leu527 4.75 Cu CB N:Cys595 3.51 Cu SG N:Cys595 2.27 Cu CA N:Cys595 4.78 Cu N N:Gly596 4.68 Cu N N:Cys597 4.41 Cu CB N:Cys597 3.77 Cu SG N:Cys597 2.33 Cu CA N:Cys597 4.71 Cu S1 N:Sf4900 4.73 Cu FE1 N:Sf4900 4.70 Cu FE2 N:Sf4900 4.67 Cu S2 N:Sf4900 4.55 Cu FE4 N:Sf4900 2.91 Cu S3 N:Sf4900 3.04 Cu NI N:Ni951 2.94 Cu O N:Act953 3.30 Cu CH3 N:Act953 3.75 Cu C N:Act953 2.97 interactive model: Copper binding site 3 out of 4 in 3i01 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 3i01. 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: Cys509, O: Leu527, O: Cys528, O: Cys595, O: Cys597, O: Sf4900, O: Ni951, O: Act953, conact list: Atom Atom Distance (A) Cu CD1 O:Ile146 4.27 Cu CB O:Cys509 3.34 Cu SG O:Cys509 2.23 Cu CA O:Cys509 4.68 Cu CD1 O:Leu527 4.24 Cu CB O:Cys528 4.93 Cu CB O:Cys595 4.41 Cu SG O:Cys595 2.83 Cu N O:Cys597 4.41 Cu CB O:Cys597 4.15 Cu SG O:Cys597 2.88 Cu CA O:Cys597 4.81 Cu S1 O:Sf4900 4.99 Cu FE1 O:Sf4900 4.97 Cu FE2 O:Sf4900 4.90 Cu FE4 O:Sf4900 3.23 Cu S3 O:Sf4900 3.15 Cu NI O:Ni951 2.93 Cu O O:Act953 3.20 Cu CH3 O:Act953 3.54 Cu C O:Act953 2.86 interactive model: Copper binding site 4 out of 4 in 3i01 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 3i01. 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: Cys509, P: Leu527, P: Cys595, P: Gly596, P: Cys597, P: Sf4900, P: Ni951, P: Act953, conact list: Atom Atom Distance (A) Cu CD1 P:Ile146 4.49 Cu CB P:Cys509 3.20 Cu SG P:Cys509 2.22 Cu CA P:Cys509 4.53 Cu CD1 P:Leu527 4.49 Cu CB P:Cys595 3.63 Cu SG P:Cys595 2.49 Cu CA P:Cys595 4.92 Cu N P:Gly596 4.84 Cu N P:Cys597 4.46 Cu CB P:Cys597 3.52 Cu SG P:Cys597 2.19 Cu CA P:Cys597 4.63 Cu S1 P:Sf4900 4.89 Cu FE1 P:Sf4900 4.76 Cu FE2 P:Sf4900 4.72 Cu S2 P:Sf4900 4.71 Cu FE4 P:Sf4900 2.99 Cu S3 P:Sf4900 3.02 Cu NI P:Ni951 2.96 Cu O P:Act953 3.54 Cu CH3 P:Act953 3.40 Cu C P:Act953 2.71 interactive model: