Mercury in the structure of Crystal Structure of Aqpz Mutant T183C Complexed With Mercury (pdb 2o9e)

The binding sites of Mercury atom in the structure of Crystal Structure of Aqpz Mutant T183C Complexed With Mercury (pdb code 2o9e). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 2o9e structure was solved by D.F.SAVAGE, R.M.STROUD, CENTER FOR STRUCTURES OF MEMBRANE PROTEINS(CSMP), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 64.4-2.2 Space group I4 a (A) 91.103 b (A) 91.103 c (A) 77.944 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.3 Rfree (%) 24.3 Mercury Binding Sites: Mercury binding site 1 out of 3 in 2o9e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 2o9e. 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: Leu15, A: Phe43, A: Leu170, A: His174, A: Ser184, A: Val185, A: Asn186, A: Arg189, A: Hoh265, conact list: Atom Atom Distance (A) Hg CD1 A:Leu15 4.83 Hg CD2 A:Leu15 4.11 Hg CG A:Leu15 4.88 Hg CD1 A:Phe43 3.89 Hg CE1 A:Phe43 4.02 Hg CG A:Phe43 4.81 Hg CD1 A:Leu170 4.05 Hg CD2 A:Leu170 4.00 Hg CG A:Leu170 4.63 Hg NE2 A:His174 3.62 Hg CD2 A:His174 4.80 Hg CE1 A:His174 4.18 Hg O A:Ser184 3.13 Hg C A:Ser184 4.36 Hg CG2 A:Val185 4.66 Hg N A:Asn186 4.80 Hg CB A:Asn186 3.67 Hg ND2 A:Asn186 4.37 Hg CG A:Asn186 4.49 Hg CA A:Asn186 4.86 Hg CB A:Arg189 4.60 Hg CD A:Arg189 4.28 Hg CG A:Arg189 4.54 Hg O A:Hoh265 4.00 interactive model: Mercury binding site 2 out of 3 in 2o9e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 2o9e. 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: Val137, A: Glu138, A: Leu141, A: Ile173, A: Ser177, A: Thr181, A: Cys183, A: Ser184, A: Val185, conact list: Atom Atom Distance (A) Hg O A:Val137 4.42 Hg C A:Val137 4.43 Hg CG1 A:Val137 4.23 Hg N A:Glu138 4.21 Hg OE1 A:Glu138 2.54 Hg CB A:Glu138 4.44 Hg OE2 A:Glu138 3.59 Hg CD A:Glu138 3.06 Hg CG A:Glu138 3.90 Hg CA A:Glu138 3.97 Hg CB A:Leu141 4.17 Hg CD1 A:Leu141 3.82 Hg CG A:Leu141 4.54 Hg CG2 A:Ile173 4.37 Hg CB A:Ser177 3.60 Hg OG A:Ser177 3.07 Hg OG1 A:Thr181 4.16 Hg CB A:Cys183 4.54 Hg SG A:Cys183 3.95 Hg C A:Cys183 4.66 Hg CA A:Cys183 4.19 Hg N A:Ser184 4.14 Hg N A:Val185 4.49 Hg CB A:Val185 4.77 Hg CG1 A:Val185 3.37 interactive model: Mercury binding site 3 out of 3 in 2o9e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 2o9e. 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: Met131, A: Leu132, A: Leu135, conact list: Atom Atom Distance (A) Hg O A:Met131 4.07 Hg CB A:Met131 4.00 Hg CE A:Met131 4.06 Hg C A:Met131 4.07 Hg CG A:Met131 3.38 Hg SD A:Met131 3.73 Hg CA A:Met131 4.72 Hg N A:Leu132 4.09 Hg CB A:Leu132 4.61 Hg CD1 A:Leu132 4.78 Hg CA A:Leu132 4.15 Hg CB A:Leu135 4.57 Hg CD2 A:Leu135 3.73 Hg CG A:Leu135 4.83 interactive model: