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 |
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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:
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