Bromine in the structure of Crystal Structure Of A Bulged Rna From The SL2 Stem-Loop of the Hiv-1 Psi-Rna (pdb 1jzv)

The binding sites of Bromine atom in the structure of Crystal Structure Of A Bulged Rna From The SL2 Stem-Loop of the Hiv-1 Psi-Rna (pdb code 1jzv). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1jzv structure was solved by Y.XIONG, C.SUDARSANAKUMAR, J.DENG, B.PAN, M.SUNDARALINGAM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.7 Space group P41212 a (A) 45.800 b (A) 45.800 c (A) 89.650 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.3 Rfree (%) 23.3 Bromine Binding Sites: Bromine binding site 1 out of 2 in 1jzv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1jzv. 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: C6, A: 5bu7, A: G8, A: Hoh332, A: Hoh333, A: Hoh336, conact list: Atom Atom Distance (A) Br N3 A:C6 3.74 Br C3' A:C6 4.32 Br C2 A:C6 3.95 Br C6 A:C6 3.68 Br N1 A:C6 3.91 Br C5 A:C6 3.48 Br C1' A:C6 4.79 Br O2 A:C6 4.73 Br C4 A:C6 3.49 Br C2' A:C6 4.44 Br N4 A:C6 4.01 Br N3 A:5bu7 4.12 Br C2 A:5bu7 4.67 Br C6 A:5bu7 2.78 Br N1 A:5bu7 4.09 Br C5 A:5bu7 1.88 Br P A:5bu7 4.63 Br C4 A:5bu7 2.87 Br OP2 A:5bu7 3.66 Br BR A:5bu7 0.00 Br O5' A:5bu7 4.34 Br O4 A:5bu7 3.15 Br N7 A:G8 5.00 Br O A:Hoh332 3.55 Br O A:Hoh333 3.61 Br O A:Hoh336 4.01 interactive model: Bromine binding site 2 out of 2 in 1jzv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1jzv. 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: C26, C: 5bu27, C: G28, C: Hoh309, C: Hoh324, conact list: Atom Atom Distance (A) Br N3 C:C26 3.69 Br C3' C:C26 4.28 Br C2 C:C26 3.86 Br C6 C:C26 3.72 Br N1 C:C26 3.85 Br C5 C:C26 3.57 Br C1' C:C26 4.69 Br O2 C:C26 4.60 Br O3' C:C26 4.99 Br C4 C:C26 3.53 Br C2' C:C26 4.29 Br N4 C:C26 4.07 Br N3 C:5bu27 4.11 Br C2 C:5bu27 4.67 Br C6 C:5bu27 2.79 Br N1 C:5bu27 4.08 Br C5 C:5bu27 1.87 Br P C:5bu27 4.62 Br C4 C:5bu27 2.86 Br OP2 C:5bu27 3.77 Br BR C:5bu27 0.00 Br O5' C:5bu27 4.32 Br O4 C:5bu27 3.13 Br N7 C:G28 4.66 Br O C:Hoh309 3.69 Br O C:Hoh324 3.76 interactive model: