Bromine in the structure of Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex With Small Molecule Fragments (pdb 3ciz)

The binding sites of Bromine atom in the structure of Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex With Small Molecule Fragments (pdb code 3ciz). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3ciz structure was solved by J.HENDLE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 1.9 Space group P212121 a (A) 86.055 b (A) 106.454 c (A) 127.051 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.1 Rfree (%) 23.5 Bromine Binding Sites: Bromine binding site 1 out of 1 in 3ciz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3ciz. 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: Leu419, B: Arg422, B: Met423, B: Leu474, B: Tyr477, B: Trp528, B: Sx1572, conact list: Atom Atom Distance (A) Br O B:Leu419 4.45 Br CD1 B:Leu419 3.95 Br C B:Leu419 4.95 Br CG B:Leu419 4.98 Br CA B:Leu419 4.43 Br CB B:Arg422 3.99 Br CD B:Arg422 4.05 Br CZ B:Arg422 3.87 Br CG B:Arg422 4.68 Br NE B:Arg422 4.10 Br NH2 B:Arg422 4.61 Br NH1 B:Arg422 3.48 Br N B:Met423 4.92 Br CB B:Met423 4.95 Br CG B:Met423 3.66 Br SD B:Met423 4.23 Br O B:Leu474 4.81 Br CZ B:Tyr477 4.69 Br CE1 B:Tyr477 4.25 Br OH B:Tyr477 4.22 Br CB B:Trp528 4.10 Br CD1 B:Trp528 4.60 Br CD2 B:Trp528 4.16 Br CE3 B:Trp528 4.39 Br CG B:Trp528 4.03 Br CE2 B:Trp528 4.79 Br C6 B:Sx1572 4.19 Br C5 B:Sx1572 2.87 Br C4 B:Sx1572 1.89 Br C1 B:Sx1572 4.71 Br BR1 B:Sx1572 0.00 Br C3 B:Sx1572 2.85 Br C2 B:Sx1572 4.16 interactive model: