Bromine in PDB 2rf2: Hiv Reverse Transcriptase in Complex with Inhibitor 7E (Nnrti)

All present enzymatic activity of Hiv Reverse Transcriptase in Complex with Inhibitor 7E (Nnrti):
2.7.7.49;

The structure of Hiv Reverse Transcriptase in Complex with Inhibitor 7E (Nnrti), PDB code: 2rf2 was solved by Y.Yan, S.Prasad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.77 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	119.290, 155.810, 155.860, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 25.8

The binding sites of Bromine atom in the Hiv Reverse Transcriptase in Complex with Inhibitor 7E (Nnrti) (pdb code 2rf2). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Hiv Reverse Transcriptase in Complex with Inhibitor 7E (Nnrti), PDB code: 2rf2:

Bromine binding site 1 out of 1 in the Hiv Reverse Transcriptase in Complex with Inhibitor 7E (Nnrti)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Hiv Reverse Transcriptase in Complex with Inhibitor 7E (Nnrti) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br561 b:68.0 occ:0.50 BR A:MRX561 0.0 68.0 0.5 C6 A:MRX561 2.0 46.5 1.0 C5 A:MRX561 2.9 36.5 1.0 C1 A:MRX561 3.0 38.6 1.0 CG1 A:VAL106 3.4 42.6 1.0 O A:LEU234 3.4 47.0 1.0 CD2 A:PHE227 3.6 45.6 1.0 O A:HIS235 3.6 43.2 1.0 CB A:LEU234 3.7 35.6 1.0 C A:HIS235 3.7 41.2 1.0 C A:LEU234 3.8 43.8 1.0 CG2 A:VAL106 3.8 43.1 1.0 N A:PRO236 4.0 37.4 1.0 CE2 A:PHE227 4.1 47.6 1.0 CB A:VAL106 4.2 43.0 1.0 N A:HIS235 4.2 39.0 1.0 CA A:PRO236 4.2 36.4 1.0 C4 A:MRX561 4.2 31.3 1.0 CA A:HIS235 4.3 37.3 1.0 C2 A:MRX561 4.3 31.3 1.0 CA A:LEU234 4.4 37.0 1.0 CD1 A:LEU234 4.7 34.7 1.0 CG A:PHE227 4.7 43.9 1.0 OH A:TYR318 4.8 29.1 1.0 CD A:PRO236 4.8 39.1 1.0 C3 A:MRX561 4.8 29.5 1.0 CG A:LEU234 4.8 36.8 1.0 CB A:PHE227 5.0 42.3 1.0

Z.Zhao, S.E.Wolkenberg, M.Lu, V.Munshi, G.Moyer, M.Feng, A.V.Carella, L.T.Ecto, L.J.Gabryelski, M.T.Lai, S.G.Prasad, Y.Yan, G.B.Mcgaughey, M.D.Miller, C.W.Lindsley, G.D.Hartman, J.P.Vacca, T.M.Williams. Novel Indole-3-Sulfonamides As Potent Hiv Non-Nucleoside Reverse Transcriptase Inhibitors (Nnrtis). Bioorg.Med.Chem.Lett. V. 18 554 2008.
ISSN: ISSN 0960-894X
PubMed: 18083561
DOI: 10.1016/J.BMCL.2007.11.085