Bromine in the structure of Hiv-1 Dis Kissing-Loop in Complex With Ribostamycin (pdb 2fcz)

The binding sites of Bromine atom in the structure of Hiv-1 Dis Kissing-Loop in Complex With Ribostamycin (pdb code 2fcz). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2fcz structure was solved by E.ENNIFAR, J.C.PAILLART, R.MARQUET, P.DUMAS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.2-2.0 Space group C121 a (A) 112.125 b (A) 27.191 c (A) 106.909 alpha (°) 90.00 beta (°) 116.72 gamma (°) 90.00 Rfactor (%) 23.8 Rfree (%) 25.6 Bromine Binding Sites: Bromine binding site 1 out of 4 in 2fcz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2fcz. 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: U2, A: 5bu3, A: Hoh75, conact list: Atom Atom Distance (A) Br N3 A:U2 3.76 Br C3' A:U2 4.16 Br C2 A:U2 3.93 Br C6 A:U2 3.66 Br N1 A:U2 3.85 Br C5 A:U2 3.52 Br C1' A:U2 4.71 Br O2 A:U2 4.65 Br O3' A:U2 4.84 Br C4 A:U2 3.59 Br C2' A:U2 4.38 Br O5' A:U2 4.82 Br O4 A:U2 4.15 Br N3 A:5bu3 4.12 Br C2 A:5bu3 4.70 Br C6 A:5bu3 2.83 Br N1 A:5bu3 4.13 Br C5 A:5bu3 1.91 Br P A:5bu3 4.45 Br C4 A:5bu3 2.88 Br OP2 A:5bu3 3.52 Br BR A:5bu3 0.00 Br O5' A:5bu3 4.25 Br O4 A:5bu3 3.16 Br O A:Hoh75 4.06 interactive model: Bromine binding site 2 out of 4 in 2fcz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 2fcz. 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: U2, B: 5bu3, B: G4, B: Hoh56, conact list: Atom Atom Distance (A) Br N3 B:U2 4.60 Br C3' B:U2 3.84 Br C2 B:U2 4.54 Br C6 B:U2 3.79 Br N1 B:U2 4.11 Br C5 B:U2 3.92 Br C1' B:U2 4.70 Br P B:U2 4.95 Br O3' B:U2 4.50 Br C4 B:U2 4.37 Br OP2 B:U2 4.40 Br C2' B:U2 4.26 Br C4' B:U2 4.91 Br O5' B:U2 4.21 Br N3 B:5bu3 4.13 Br C2 B:5bu3 4.71 Br C6 B:5bu3 2.83 Br N1 B:5bu3 4.13 Br C5 B:5bu3 1.92 Br P B:5bu3 4.12 Br C4 B:5bu3 2.89 Br OP2 B:5bu3 3.16 Br BR B:5bu3 0.00 Br O5' B:5bu3 4.07 Br O4 B:5bu3 3.16 Br N7 B:G4 4.58 Br O B:Hoh56 3.96 interactive model: Bromine binding site 3 out of 4 in 2fcz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 2fcz. 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: C: U2, C: 5bu3, C: Hoh58, C: Hoh71, C: Hoh180, conact list: Atom Atom Distance (A) Br N3 C:U2 4.39 Br C3' C:U2 4.11 Br C2 C:U2 4.43 Br C6 C:U2 3.72 Br N1 C:U2 4.08 Br C5 C:U2 3.74 Br C1' C:U2 4.79 Br O3' C:U2 4.81 Br C4 C:U2 4.12 Br OP2 C:U2 4.73 Br C2' C:U2 4.48 Br O5' C:U2 4.46 Br O4 C:U2 4.75 Br N3 C:5bu3 4.14 Br C2 C:5bu3 4.71 Br C6 C:5bu3 2.84 Br N1 C:5bu3 4.14 Br C5 C:5bu3 1.92 Br P C:5bu3 4.44 Br C4 C:5bu3 2.90 Br OP2 C:5bu3 3.50 Br BR C:5bu3 0.00 Br O5' C:5bu3 4.32 Br O4 C:5bu3 3.18 Br O C:Hoh58 3.99 Br O C:Hoh71 3.50 Br O C:Hoh180 3.37 interactive model: Bromine binding site 4 out of 4 in 2fcz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 2fcz. 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: D: U2, D: 5bu3, D: Hoh87, conact list: Atom Atom Distance (A) Br N3 D:U2 3.86 Br C3' D:U2 3.63 Br C2 D:U2 3.89 Br C6 D:U2 3.45 Br N1 D:U2 3.64 Br C5 D:U2 3.50 Br C1' D:U2 4.35 Br O2 D:U2 4.63 Br O3' D:U2 4.39 Br O4' D:U2 4.72 Br C4 D:U2 3.73 Br C5' D:U2 4.81 Br C2' D:U2 4.02 Br C4' D:U2 4.62 Br O4 D:U2 4.35 Br N3 D:5bu3 4.12 Br C2 D:5bu3 4.71 Br C6 D:5bu3 2.84 Br N1 D:5bu3 4.15 Br C5 D:5bu3 1.91 Br P D:5bu3 4.13 Br C4 D:5bu3 2.88 Br OP2 D:5bu3 3.19 Br BR D:5bu3 0.00 Br O5' D:5bu3 4.10 Br O4 D:5bu3 3.14 Br O D:Hoh87 4.57 interactive model: