Gold in the structure of Crystal Structure Analysis of the Human Glutahione Reductase, Complexed With Gopi (pdb 2aaq)

The binding sites of Gold atom in the structure of Crystal Structure Analysis of the Human Glutahione Reductase, Complexed With Gopi (pdb code 2aaq). This binding sites where shown with 5.0 Angstroms radius around Gold atom. The 2aaq structure was solved by S.URIG, K.FRITZ-WOLF, R.REAU, C.HEROLD-MENDE, K.TOTH, E.DAVIOUD-CHARVET, K.BECKER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-2.6 Space group C121 a (A) 120.310 b (A) 62.720 c (A) 83.990 alpha (°) 90.00 beta (°) 122.47 gamma (°) 90.00 Rfactor (%) 20.1 Rfree (%) 25.9 Gold Binding Sites: Gold binding site 1 out of 2 in 2aaq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Gold in the PDB 2aaq. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Gold atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Ile175, A: Leu183, A: Asp283, A: Cys284, A: Leu285, A: Aup601, A: Hoh912, conact list: Atom Atom Distance (A) Au CB A:Ile175 4.91 Au CD1 A:Ile175 3.76 Au CG2 A:Ile175 4.36 Au CG1 A:Ile175 4.12 Au CD2 A:Leu183 4.06 Au O A:Asp283 4.02 Au C A:Asp283 4.81 Au N A:Cys284 4.76 Au CB A:Cys284 2.35 Au SG A:Cys284 2.35 Au C A:Cys284 4.54 Au CA A:Cys284 3.77 Au N A:Leu285 4.79 Au C9 A:Aup601 3.33 Au C29 A:Aup601 4.61 Au C38 A:Aup601 4.95 Au C19 A:Aup601 3.81 Au C18 A:Aup601 3.71 Au C1 A:Aup601 4.26 Au C36 A:Aup601 4.06 Au C2 A:Aup601 4.19 Au P A:Aup601 2.35 Au C28 A:Aup601 3.32 Au C7 A:Aup601 3.49 Au C27 A:Aup601 3.60 Au C37 A:Aup601 3.70 Au O A:Hoh912 3.44 interactive model: Gold binding site 2 out of 2 in 2aaq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Gold in the PDB 2aaq. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Gold atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Cys58, A: Val59, A: Cys63, A: Thr339, A: Po4504, A: K701, A: Fad499, conact list: Atom Atom Distance (A) Au O A:Cys58 3.43 Au N A:Cys58 4.41 Au CB A:Cys58 2.93 Au SG A:Cys58 2.32 Au C A:Cys58 3.38 Au CA A:Cys58 3.06 Au N A:Val59 4.26 Au N A:Cys63 4.04 Au CB A:Cys63 2.92 Au SG A:Cys63 2.34 Au CA A:Cys63 4.14 Au CB A:Thr339 3.55 Au CG2 A:Thr339 3.81 Au OG1 A:Thr339 3.58 Au CA A:Thr339 4.99 Au O1 A:Po4504 4.95 Au O2 A:Po4504 3.19 Au P A:Po4504 3.59 Au O4 A:Po4504 4.08 Au O3 A:Po4504 3.02 Au K A:K701 4.03 Au C10 A:Fad499 4.97 Au N1 A:Fad499 4.92 Au O4' A:Fad499 4.79 Au C2' A:Fad499 4.40 Au O2' A:Fad499 3.68 interactive model: