Copper in the structure of Crystal Structure Of The Periplasmic Divalent Cation Tolerance Protein Cuta From Pyrococcus Horikoshii OT3 in the Presence of CUCL2 (pdb 1v99)

The binding sites of Copper atom in the structure of Crystal Structure Of The Periplasmic Divalent Cation Tolerance Protein Cuta From Pyrococcus Horikoshii OT3 in the Presence of CUCL2 (pdb code 1v99). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1v99 structure was solved by B.BAGAUTDINOV, T.H.TAHIROV, RIKEN STRUCTURAL GENOMICS/PROTEOMICSINITIATIVE (RSGI), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 36.1-1.8 Space group P212121 a (A) 93.085 b (A) 124.250 c (A) 50.458 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.9 Rfree (%) 22.5 Copper Binding Sites: Copper binding site 1 out of 2 in 1v99 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1v99. 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: Asp84, A: Asp86, B: Asp84, B: Asp86, C: Asp84, C: Asp86, A: Hoh4015, A: Hoh4043, B: Hoh4015, B: Hoh4021, B: Hoh4031, C: Hoh4016, C: Hoh4035, conact list: Atom Atom Distance (A) Cu O A:Asp84 4.30 Cu OD2 A:Asp86 4.08 Cu OD1 A:Asp86 4.33 Cu CG A:Asp86 4.63 Cu O B:Asp84 4.59 Cu OD2 B:Asp86 4.06 Cu OD1 B:Asp86 4.31 Cu CG B:Asp86 4.62 Cu O C:Asp84 4.50 Cu OD2 C:Asp86 4.35 Cu OD1 C:Asp86 4.45 Cu CG C:Asp86 4.84 Cu O A:Hoh4015 2.20 Cu O A:Hoh4043 2.48 Cu O B:Hoh4015 2.21 Cu O B:Hoh4021 2.29 Cu O B:Hoh4031 4.00 Cu O C:Hoh4016 2.31 Cu O C:Hoh4035 2.49 interactive model: Copper binding site 2 out of 2 in 1v99 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1v99. 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: Asp84, D: Asp86, E: Asp84, E: Asp86, F: Asp84, F: Asp86, D: Hoh4047, D: Hoh4051, E: Hoh4011, E: Hoh4041, E: Hoh4114, F: Hoh2009, F: Hoh2022, F: Hoh2059, F: Hoh2078, conact list: Atom Atom Distance (A) Cu O D:Asp84 4.53 Cu OD2 D:Asp86 4.15 Cu OD1 D:Asp86 4.48 Cu CG D:Asp86 4.76 Cu O E:Asp84 4.39 Cu OD2 E:Asp86 4.17 Cu OD1 E:Asp86 4.44 Cu CG E:Asp86 4.75 Cu O F:Asp84 4.49 Cu OD2 F:Asp86 4.08 Cu OD1 F:Asp86 4.40 Cu CG F:Asp86 4.68 Cu O D:Hoh4047 2.36 Cu O D:Hoh4051 2.38 Cu O E:Hoh4011 2.32 Cu O E:Hoh4041 2.44 Cu O E:Hoh4114 3.58 Cu O F:Hoh2009 2.31 Cu O F:Hoh2022 4.68 Cu O F:Hoh2059 3.94 Cu O F:Hoh2078 2.42 interactive model: