Lead in the structure of Hiv-1 Dis(Mal) Duplex Pb-Soaked (pdb 1y95)

The binding sites of Lead atom in the structure of Hiv-1 Dis(Mal) Duplex Pb-Soaked (pdb code 1y95). This binding sites where shown with 5.0 Angstroms radius around Lead atom. The 1y95 structure was solved by E.ENNIFAR, P.WALTER, P.DUMAS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.8 Space group P3121 a (A) 59.200 b (A) 59.200 c (A) 65.800 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 22.6 Rfree (%) 25.3 Lead Binding Sites: Lead binding site 1 out of 3 in 1y95 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Lead in the PDB 1y95. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Lead atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: G7, A: A8, A: G9, A: G10, conact list: Atom Atom Distance (A) Pb C3' A:G7 4.89 Pb O3' A:G7 4.85 Pb C2' A:G7 4.76 Pb OP1 A:A8 4.58 Pb P A:A8 4.01 Pb OP2 A:A8 2.63 Pb N9 A:G9 4.92 Pb C8 A:G9 3.85 Pb C6 A:G9 3.98 Pb C5 A:G9 3.71 Pb N7 A:G9 2.92 Pb C4 A:G9 4.86 Pb OP2 A:G9 4.23 Pb O6 A:G9 3.64 Pb N7 A:G10 4.74 Pb O6 A:G10 4.94 interactive model: Lead binding site 2 out of 3 in 1y95 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Lead in the PDB 1y95. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Lead atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: A8, A: G9, A: G10, B: A8, B: G9, conact list: Atom Atom Distance (A) Pb O3' A:A8 4.51 Pb OP1 A:G9 2.82 Pb P A:G9 4.20 Pb O3' A:G9 4.52 Pb OP1 A:G10 4.48 Pb P A:G10 4.28 Pb OP2 A:G10 3.44 Pb C3' B:A8 5.00 Pb C3' B:A8 4.87 Pb O3' B:A8 3.70 Pb O3' B:A8 3.55 Pb O2' B:A8 4.61 Pb OP1 B:G9 3.40 Pb OP1 B:G9 2.73 Pb P B:G9 3.63 Pb P B:G9 3.75 Pb OP2 B:G9 3.44 Pb OP2 B:G9 4.84 Pb C5' B:G9 4.80 Pb O5' B:G9 4.78 interactive model: Lead binding site 3 out of 3 in 1y95 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Lead in the PDB 1y95. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Lead atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: G7, B: A8, B: G9, B: G10, B: Hoh143, conact list: Atom Atom Distance (A) Pb C3' B:G7 4.79 Pb O3' B:G7 4.79 Pb C2' B:G7 4.66 Pb OP1 B:A8 3.21 Pb OP1 B:A8 4.31 Pb P B:A8 4.26 Pb P B:A8 3.90 Pb OP2 B:A8 4.32 Pb OP2 B:A8 2.62 Pb O5' B:A8 4.98 Pb N9 B:G9 4.77 Pb N9 B:G9 4.58 Pb C8 B:G9 3.58 Pb C8 B:G9 3.39 Pb C6 B:G9 3.97 Pb C6 B:G9 4.34 Pb C5 B:G9 3.59 Pb C5 B:G9 3.76 Pb P B:G9 4.76 Pb N7 B:G9 2.62 Pb N7 B:G9 2.70 Pb C4 B:G9 4.78 Pb C4 B:G9 4.78 Pb OP2 B:G9 3.66 Pb O5' B:G9 4.68 Pb O6 B:G9 3.62 Pb O6 B:G9 4.19 Pb N7 B:G10 4.60 Pb O6 B:G10 4.73 Pb O B:Hoh143 4.40 interactive model: