Bromine in the structure of Structure of the Genotype 2B Hcv Polymerase Bound to A Nni (pdb 3hvo)

The binding sites of Bromine atom in the structure of Structure of the Genotype 2B Hcv Polymerase Bound to A Nni (pdb code 3hvo). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3hvo structure was solved by E.H.RYDBERG, A.CARFI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.8-2.0 Space group C121 a (A) 153.293 b (A) 64.648 c (A) 135.714 alpha (°) 90.00 beta (°) 89.73 gamma (°) 90.00 Rfactor (%) 18.2 Rfree (%) 21.8 Bromine Binding Sites: Bromine binding site 1 out of 2 in 3hvo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3hvo. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Ile419, A: Arg422, A: Met423, A: Leu474, A: Tyr477, A: Trp528, A: Vgi564, conact list: Atom Atom Distance (A) Br O A:Ile419 4.81 Br CB A:Ile419 4.86 Br CG1 A:Ile419 4.28 Br CA A:Ile419 4.51 Br CB A:Arg422 3.78 Br CD A:Arg422 3.92 Br CZ A:Arg422 3.42 Br CG A:Arg422 4.50 Br NE A:Arg422 3.68 Br NH2 A:Arg422 4.03 Br NH1 A:Arg422 3.24 Br N A:Met423 4.97 Br CG A:Met423 3.82 Br SD A:Met423 4.55 Br O A:Leu474 4.70 Br CZ A:Tyr477 4.95 Br CE1 A:Tyr477 4.50 Br OH A:Tyr477 4.39 Br CB A:Trp528 3.87 Br CD1 A:Trp528 4.14 Br CD2 A:Trp528 3.95 Br CE3 A:Trp528 4.38 Br CG A:Trp528 3.72 Br CE2 A:Trp528 4.49 Br NE1 A:Trp528 4.59 Br C18 A:Vgi564 4.69 Br BR1 A:Vgi564 0.00 Br C14 A:Vgi564 2.86 Br C16 A:Vgi564 2.87 Br C13 A:Vgi564 4.17 Br C17 A:Vgi564 4.17 Br C15 A:Vgi564 1.91 interactive model: Bromine binding site 2 out of 2 in 3hvo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 3hvo. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Ile419, B: Arg422, B: Met423, B: Leu474, B: Tyr477, B: Trp528, B: Vgi564, B: Hoh574, conact list: Atom Atom Distance (A) Br O B:Ile419 4.76 Br CB B:Ile419 4.81 Br CD1 B:Ile419 4.95 Br CG1 B:Ile419 4.18 Br CA B:Ile419 4.46 Br CB B:Arg422 3.88 Br CD B:Arg422 3.92 Br CZ B:Arg422 3.41 Br CG B:Arg422 4.55 Br NE B:Arg422 3.71 Br NH2 B:Arg422 4.05 Br NH1 B:Arg422 3.20 Br N B:Met423 4.92 Br CG B:Met423 3.80 Br SD B:Met423 4.44 Br O B:Leu474 4.66 Br CZ B:Tyr477 4.84 Br CE1 B:Tyr477 4.43 Br OH B:Tyr477 4.25 Br CB B:Trp528 3.98 Br CD1 B:Trp528 4.25 Br CD2 B:Trp528 4.04 Br CE3 B:Trp528 4.44 Br CG B:Trp528 3.83 Br CE2 B:Trp528 4.58 Br NE1 B:Trp528 4.68 Br C18 B:Vgi564 4.71 Br BR1 B:Vgi564 0.00 Br C14 B:Vgi564 2.88 Br C16 B:Vgi564 2.90 Br C13 B:Vgi564 4.19 Br C17 B:Vgi564 4.20 Br C15 B:Vgi564 1.93 Br O B:Hoh574 4.99 interactive model: