Mercury in the structure of Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes (pdb 1dr5)

The binding sites of Mercury atom in the structure of Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes (pdb code 1dr5). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 1dr5 structure was solved by M.A.MCTIGUE, J.F.DAVIES /II, B.T.KAUFMAN, N.-H.XUONG, J.KRAUT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 2.4 Space group C121 a (A) 89.150 b (A) 48.270 c (A) 64.170 alpha (°) 90.00 beta (°) 124.80 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Mercury Binding Sites: Mercury binding site 1 out of 2 in 1dr5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1dr5. 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: Cys11, A: Gln12, A: Asn13, A: Gly15, A: His140, A: Glu141, A: Phe142, A: Ser144, A: Hg190, A: Hoh623, A: Hoh705, conact list: Atom Atom Distance (A) Hg O A:Cys11 4.65 Hg N A:Cys11 4.61 Hg CB A:Cys11 3.26 Hg CB A:Cys11 2.71 Hg SG A:Cys11 2.45 Hg SG A:Cys11 3.07 Hg C A:Cys11 3.89 Hg CA A:Cys11 3.89 Hg N A:Gln12 3.65 Hg C A:Gln12 4.45 Hg CA A:Gln12 4.42 Hg N A:Asn13 3.56 Hg CB A:Asn13 4.29 Hg ND2 A:Asn13 2.80 Hg C A:Asn13 4.95 Hg OD1 A:Asn13 2.83 Hg CG A:Asn13 3.03 Hg CA A:Asn13 4.46 Hg N A:Gly15 4.51 Hg CA A:Gly15 4.70 Hg O A:His140 4.20 Hg C A:His140 4.94 Hg N A:Glu141 4.83 Hg CB A:Glu141 4.36 Hg C A:Glu141 3.94 Hg CG A:Glu141 4.78 Hg CA A:Glu141 3.72 Hg O A:Phe142 2.91 Hg N A:Phe142 3.12 Hg CB A:Phe142 4.50 Hg CD1 A:Phe142 4.67 Hg C A:Phe142 3.88 Hg CA A:Phe142 4.04 Hg CB A:Ser144 4.91 Hg OG A:Ser144 3.88 Hg HG A:Hg190 0.00 Hg HG A:Hg190 2.49 Hg O A:Hoh623 4.84 Hg O A:Hoh705 2.54 interactive model: Mercury binding site 2 out of 2 in 1dr5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 1dr5. 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: Cys11, A: Asn13, A: Gly15, A: Ile16, A: Pro23, A: Trp24, A: Phe142, A: Ser144, A: Hg190, A: Hoh705, conact list: Atom Atom Distance (A) Hg N A:Cys11 4.10 Hg CB A:Cys11 3.42 Hg CB A:Cys11 3.32 Hg SG A:Cys11 1.64 Hg SG A:Cys11 2.44 Hg C A:Cys11 4.76 Hg CA A:Cys11 4.10 Hg ND2 A:Asn13 3.83 Hg OD1 A:Asn13 4.91 Hg CG A:Asn13 4.71 Hg O A:Gly15 3.34 Hg N A:Gly15 4.05 Hg C A:Gly15 3.58 Hg CA A:Gly15 3.57 Hg N A:Ile16 4.47 Hg CB A:Pro23 3.70 Hg CD A:Pro23 4.81 Hg CG A:Pro23 3.38 Hg CE3 A:Trp24 4.34 Hg CZ3 A:Trp24 3.67 Hg CH2 A:Trp24 4.67 Hg O A:Phe142 3.54 Hg N A:Phe142 4.36 Hg CB A:Phe142 4.31 Hg CD1 A:Phe142 4.66 Hg C A:Phe142 4.34 Hg CG A:Phe142 4.98 Hg CA A:Phe142 4.60 Hg N A:Ser144 4.94 Hg CB A:Ser144 3.72 Hg OG A:Ser144 2.47 Hg CA A:Ser144 4.85 Hg HG A:Hg190 2.49 Hg HG A:Hg190 0.00 Hg O A:Hoh705 3.11 interactive model: