Copper in the structure of Design Of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts (pdb 2eiq)

The binding sites of Copper atom in the structure of Design Of Disulfide-Linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts (pdb code 2eiq). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2eiq structure was solved by M.KOBAYASHI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 41.6-1.9 Space group C121 a (A) 89.209 b (A) 49.557 c (A) 59.427 alpha (°) 90.00 beta (°) 113.33 gamma (°) 90.00 Rfactor (%) 18.4 Rfree (%) 21.8 Copper Binding Sites: Copper binding site 1 out of 2 in 2eiq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2eiq. 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: Ser1, A: Asp2, A: Lys3, A: Asp43, A: Hoh319, A: Hoh335, A: Hoh344, conact list: Atom Atom Distance (A) Cu O A:Ser1 4.04 Cu N A:Ser1 2.23 Cu CB A:Ser1 4.24 Cu OG A:Ser1 4.28 Cu C A:Ser1 2.86 Cu CA A:Ser1 3.01 Cu N A:Asp2 1.99 Cu CB A:Asp2 3.08 Cu OD2 A:Asp2 4.46 Cu C A:Asp2 3.91 Cu OD1 A:Asp2 2.55 Cu CG A:Asp2 3.22 Cu CA A:Asp2 2.99 Cu N A:Lys3 3.82 Cu OD2 A:Asp43 4.91 Cu OD1 A:Asp43 4.57 Cu CG A:Asp43 4.82 Cu O A:Hoh319 4.24 Cu O A:Hoh335 2.90 Cu O A:Hoh344 4.83 interactive model: Copper binding site 2 out of 2 in 2eiq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2eiq. 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: Ser1, B: Asp2, B: Lys3, B: Asp43, B: Hoh337, B: Hoh354, conact list: Atom Atom Distance (A) Cu O B:Ser1 4.20 Cu N B:Ser1 2.45 Cu CB B:Ser1 4.53 Cu C B:Ser1 3.07 Cu CA B:Ser1 3.25 Cu O B:Asp2 4.93 Cu N B:Asp2 2.09 Cu CB B:Asp2 2.40 Cu OD2 B:Asp2 4.74 Cu C B:Asp2 3.78 Cu OD1 B:Asp2 4.07 Cu CG B:Asp2 3.72 Cu CA B:Asp2 2.78 Cu N B:Lys3 3.76 Cu OD1 B:Asp43 4.49 Cu CG B:Asp43 4.81 Cu O B:Hoh337 4.71 Cu O B:Hoh354 2.93 interactive model: