Gold in the structure of Crystal Structure of the Anopheles Gambiae Odorant-Binding Protein 22A (pdb 3l47)

The binding sites of Gold atom in the structure of Crystal Structure of the Anopheles Gambiae Odorant-Binding Protein 22A (pdb code 3l47). This binding sites where shown with 5.0 Angstroms radius around Gold atom. The 3l47 structure was solved by H.REN, S.ZHANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.8-2.5 Space group C121 a (A) 71.871 b (A) 37.920 c (A) 43.889 alpha (°) 90.00 beta (°) 98.92 gamma (°) 90.00 Rfactor (%) 18 Rfree (%) 22.6 Gold Binding Sites: Gold binding site 1 out of 2 in 3l47 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Gold in the PDB 3l47. 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: Asp56, A: Pro57, A: His60, A: Asp116, A: Cys118, A: Glu119, A: Hoh164, A: Hoh177, conact list: Atom Atom Distance (A) Au O A:Asp56 4.90 Au C A:Asp56 4.95 Au O A:Pro57 4.16 Au N A:Pro57 4.48 Au CB A:Pro57 3.99 Au C A:Pro57 4.40 Au CG A:Pro57 4.57 Au CA A:Pro57 3.57 Au NE2 A:His60 4.30 Au CB A:His60 3.30 Au ND1 A:His60 2.20 Au CD2 A:His60 4.26 Au CE1 A:His60 3.23 Au CG A:His60 3.09 Au CA A:His60 4.81 Au OD2 A:Asp116 4.18 Au OD1 A:Asp116 4.99 Au CG A:Asp116 4.75 Au O A:Cys118 4.99 Au CB A:Cys118 4.53 Au C A:Cys118 4.57 Au N A:Glu119 4.06 Au OE1 A:Glu119 4.29 Au CB A:Glu119 3.87 Au CD A:Glu119 4.86 Au CG A:Glu119 4.74 Au CA A:Glu119 4.02 Au O A:Hoh164 4.03 Au O A:Hoh177 4.29 interactive model: Gold binding site 2 out of 2 in 3l47 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Gold in the PDB 3l47. 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: Glu43, A: His47, conact list: Atom Atom Distance (A) Au OE2 A:Glu43 3.75 Au CD A:Glu43 4.41 Au CG A:Glu43 4.14 Au NE2 A:His47 2.40 Au ND1 A:His47 4.05 Au CD2 A:His47 3.64 Au CE1 A:His47 2.81 Au CG A:His47 4.47 interactive model: