Copper in the structure of Crystal Structure of Thioredoxin From Escherichia Coli At 1.68 Angstroms Resolution (pdb 2trx)

The binding sites of Copper atom in the structure of Crystal Structure of Thioredoxin From Escherichia Coli At 1.68 Angstroms Resolution (pdb code 2trx). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2trx structure was solved by S.K.KATTI, D.M.LEMASTER, H.EKLUND, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-1.7 Space group C121 a (A) 89.500 b (A) 51.060 c (A) 60.450 alpha (°) 90.00 beta (°) 113.50 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Copper Binding Sites: Copper binding site 1 out of 2 in 2trx Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2trx. 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: Hoh405, A: Hoh419, A: Hoh449, conact list: Atom Atom Distance (A) Cu O A:Ser1 3.94 Cu N A:Ser1 2.05 Cu CB A:Ser1 4.03 Cu OG A:Ser1 4.86 Cu C A:Ser1 2.71 Cu CA A:Ser1 2.74 Cu N A:Asp2 2.06 Cu CB A:Asp2 3.27 Cu OD2 A:Asp2 4.15 Cu C A:Asp2 3.90 Cu OD1 A:Asp2 1.99 Cu CG A:Asp2 3.00 Cu CA A:Asp2 3.12 Cu N A:Lys3 3.69 Cu OD2 A:Asp43 4.03 Cu OD1 A:Asp43 4.73 Cu CG A:Asp43 4.42 Cu O A:Hoh405 2.65 Cu O A:Hoh419 4.19 Cu O A:Hoh449 4.20 interactive model: Copper binding site 2 out of 2 in 2trx Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2trx. 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: Hoh423, B: Hoh478, B: Hoh495, conact list: Atom Atom Distance (A) Cu O B:Ser1 3.95 Cu N B:Ser1 2.09 Cu CB B:Ser1 4.10 Cu OG B:Ser1 4.65 Cu C B:Ser1 2.74 Cu CA B:Ser1 2.77 Cu N B:Asp2 2.05 Cu CB B:Asp2 3.25 Cu OD2 B:Asp2 4.11 Cu C B:Asp2 3.91 Cu OD1 B:Asp2 2.06 Cu CG B:Asp2 2.95 Cu CA B:Asp2 3.12 Cu N B:Lys3 3.69 Cu OD2 B:Asp43 4.14 Cu OD1 B:Asp43 4.82 Cu CG B:Asp43 4.53 Cu O B:Hoh423 4.13 Cu O B:Hoh478 2.63 Cu O B:Hoh495 4.31 interactive model: