Mercury in the structure of Crystal Structure of Retinol Dehydratase in Complex With Anhydroretinol and Inactive Cofactor Pap (pdb 1x8k)

The binding sites of Mercury atom in the structure of Crystal Structure of Retinol Dehydratase in Complex With Anhydroretinol and Inactive Cofactor Pap (pdb code 1x8k). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 1x8k structure was solved by S.PAKHOMOVA, J.BUCK, M.E.NEWCOMER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-2.8 Space group P1211 a (A) 81.286 b (A) 66.661 c (A) 84.464 alpha (°) 90.00 beta (°) 110.66 gamma (°) 90.00 Rfactor (%) 19.4 Rfree (%) 25.5 Mercury Binding Sites: Mercury binding site 1 out of 2 in 1x8k Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1x8k. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Mercury atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Ala316, A: Gly317, A: Cys318, A: Emc1103, conact list: Atom Atom Distance (A) Hg O A:Ala316 3.95 Hg C A:Ala316 4.79 Hg O A:Gly317 3.66 Hg C A:Gly317 3.75 Hg CA A:Gly317 4.64 Hg N A:Cys318 3.74 Hg CB A:Cys318 3.81 Hg SG A:Cys318 2.83 Hg C A:Cys318 4.96 Hg CA A:Cys318 3.60 Hg HG A:Emc1103 0.00 Hg C2 A:Emc1103 3.22 Hg C1 A:Emc1103 2.37 interactive model: Mercury binding site 2 out of 2 in 1x8k Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 1x8k. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Mercury atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Ala316, B: Gly317, B: Cys318, B: Asp321, B: Emc2203, conact list: Atom Atom Distance (A) Hg O B:Ala316 4.15 Hg C B:Ala316 4.90 Hg O B:Gly317 3.66 Hg C B:Gly317 3.72 Hg CA B:Gly317 4.61 Hg N B:Cys318 3.69 Hg CB B:Cys318 3.74 Hg SG B:Cys318 2.76 Hg C B:Cys318 4.83 Hg CA B:Cys318 3.52 Hg OD2 B:Asp321 4.93 Hg HG B:Emc2203 0.00 Hg C2 B:Emc2203 3.23 Hg C1 B:Emc2203 2.37 interactive model: