Mercury in the structure of Crystal Structure of Sterile 20-Like Kinase 3 (MST3, STK24) (pdb 3ckw)

The binding sites of Mercury atom in the structure of Crystal Structure of Sterile 20-Like Kinase 3 (MST3, STK24) (pdb code 3ckw). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 3ckw structure was solved by S.S.ANTONYSAMY, S.K.BURLEY, S.BUCHANAN, F.CHAU, I.FEIL, L.WU, J.M.SAUDER, NEW YORK SGX RESEARCH CENTER FOR STRUCTURALGENOMICS (NYSGXRC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.6-2.0 Space group P1211 a (A) 47.430 b (A) 56.368 c (A) 61.550 alpha (°) 90.00 beta (°) 112.69 gamma (°) 90.00 Rfactor (%) 20.7 Rfree (%) 26.5 Mercury Binding Sites: Mercury binding site 1 out of 2 in 3ckw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 3ckw. 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: Val58, A: Leu59, A: Cys62, A: Val67, A: Leu120, A: Hg306, A: Hoh504, conact list: Atom Atom Distance (A) Hg O A:Val58 3.70 Hg CB A:Val58 4.82 Hg C A:Val58 4.22 Hg CG1 A:Val58 3.70 Hg N A:Leu59 4.59 Hg CD2 A:Leu59 4.75 Hg CA A:Leu59 4.48 Hg N A:Cys62 4.65 Hg CB A:Cys62 4.29 Hg CB A:Cys62 3.01 Hg SG A:Cys62 3.31 Hg SG A:Cys62 1.54 Hg CA A:Cys62 4.29 Hg CG1 A:Val67 4.11 Hg CD2 A:Leu120 3.79 Hg HG A:Hg306 3.90 Hg O A:Hoh504 3.38 interactive model: Mercury binding site 2 out of 2 in 3ckw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 3ckw. 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: Val58, A: Gln61, A: Cys62, A: Asp63, A: Tyr119, A: Leu120, A: Glu123, A: Lys125, A: Hg305, conact list: Atom Atom Distance (A) Hg O A:Val58 4.51 Hg O A:Gln61 4.27 Hg O A:Gln61 3.49 Hg CD A:Gln61 4.72 Hg C A:Gln61 4.37 Hg C A:Gln61 3.72 Hg CG A:Gln61 3.95 Hg CA A:Gln61 4.96 Hg N A:Cys62 4.29 Hg N A:Cys62 3.49 Hg CB A:Cys62 3.45 Hg CB A:Cys62 3.19 Hg SG A:Cys62 1.75 Hg SG A:Cys62 2.60 Hg C A:Cys62 4.34 Hg CA A:Cys62 4.05 Hg CA A:Cys62 3.00 Hg N A:Asp63 4.61 Hg CD1 A:Tyr119 4.92 Hg CZ A:Tyr119 4.42 Hg CE1 A:Tyr119 3.90 Hg OH A:Tyr119 4.06 Hg CD2 A:Leu120 4.00 Hg CB A:Glu123 4.56 Hg CG A:Glu123 4.90 Hg CB A:Lys125 4.61 Hg CD A:Lys125 3.93 Hg CG A:Lys125 3.65 Hg HG A:Hg305 3.90 interactive model: