Mercury in the structure of Crystal Structure Of the Postfusion Form of Baculovirus Fusion Protein GP64 (pdb 3duz)

The binding sites of Mercury atom in the structure of Crystal Structure Of the Postfusion Form of Baculovirus Fusion Protein GP64 (pdb code 3duz). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 3duz structure was solved by J.KADLEC, S.LOUREIRO, N.G.A.ABRESCIA, I.M.JONES, D.I.STUART, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 47.8-3.0 Space group H32 a (A) 87.470 b (A) 87.470 c (A) 431.590 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 22.4 Rfree (%) 27 Mercury Binding Sites: Mercury binding site 1 out of 5 in 3duz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 3duz. 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: Trp121, A: Asn151, A: His152, conact list: Atom Atom Distance (A) Hg CD2 A:Trp121 3.88 Hg CE3 A:Trp121 3.76 Hg CG A:Trp121 4.87 Hg CZ3 A:Trp121 3.34 Hg CZ2 A:Trp121 3.19 Hg CE2 A:Trp121 3.60 Hg NE1 A:Trp121 4.46 Hg CH2 A:Trp121 3.03 Hg O A:Asn151 4.65 Hg NE2 A:His152 4.43 Hg N A:His152 4.90 Hg CB A:His152 3.43 Hg ND1 A:His152 2.38 Hg CD2 A:His152 4.40 Hg C A:His152 4.87 Hg CE1 A:His152 3.37 Hg CG A:His152 3.24 Hg CA A:His152 3.88 interactive model: Mercury binding site 2 out of 5 in 3duz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 3duz. 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: Tyr77, A: Asn85, A: His156, conact list: Atom Atom Distance (A) Hg CB A:Tyr77 4.13 Hg CE2 A:Tyr77 4.68 Hg CD1 A:Tyr77 4.05 Hg CD2 A:Tyr77 4.21 Hg CZ A:Tyr77 4.84 Hg CE1 A:Tyr77 4.55 Hg CG A:Tyr77 3.86 Hg CB A:Asn85 4.88 Hg NE2 A:His156 2.36 Hg ND1 A:His156 4.20 Hg CD2 A:His156 3.51 Hg CE1 A:His156 3.01 Hg CG A:His156 4.47 interactive model: Mercury binding site 3 out of 5 in 3duz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 3duz. 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: Asp301, A: His304, A: Ile305, A: Glu308, conact list: Atom Atom Distance (A) Hg O A:Asp301 3.86 Hg CB A:Asp301 4.98 Hg C A:Asp301 4.75 Hg CA A:Asp301 4.77 Hg O A:His304 4.92 Hg NE2 A:His304 4.34 Hg CB A:His304 3.33 Hg ND1 A:His304 2.31 Hg CD2 A:His304 4.28 Hg C A:His304 4.31 Hg CE1 A:His304 3.31 Hg CG A:His304 3.13 Hg CA A:His304 4.40 Hg N A:Ile305 4.15 Hg CD1 A:Ile305 4.08 Hg CG1 A:Ile305 4.41 Hg CA A:Ile305 4.89 Hg OE1 A:Glu308 4.05 Hg CD A:Glu308 4.77 interactive model: Mercury binding site 4 out of 5 in 3duz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Mercury in the PDB 3duz. 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: Trp121, A: Phe153, A: His155, conact list: Atom Atom Distance (A) Hg CZ3 A:Trp121 4.65 Hg O A:Phe153 4.49 Hg NE2 A:His155 2.44 Hg ND1 A:His155 4.58 Hg CD2 A:His155 3.06 Hg CE1 A:His155 3.62 Hg CG A:His155 4.34 interactive model: Mercury binding site 5 out of 5 in 3duz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Mercury in the PDB 3duz. 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: His378, A: Lys389, conact list: Atom Atom Distance (A) Hg NE2 A:His378 2.38 Hg ND1 A:His378 4.26 Hg CD2 A:His378 3.26 Hg CE1 A:His378 3.23 Hg CG A:His378 4.30 Hg CE A:Lys389 3.41 Hg CD A:Lys389 3.69 Hg CG A:Lys389 4.18 Hg NZ A:Lys389 4.76 interactive model: