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Bromine in PDB 2vg6: Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors

Enzymatic activity of Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors

All present enzymatic activity of Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors:
2.7.7.49; 2.7.7.7; 3.1.26.4;

Protein crystallography data

The structure of Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors, PDB code: 2vg6 was solved by A.Spallarossa, S.Cesarini, A.Ranise, M.Ponassi, T.Unge, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 3.01
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 119.591, 157.183, 154.921, 90.00, 90.00, 90.00
R / Rfree (%) 24.4 / 33.5

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors (pdb code 2vg6). 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 Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors, PDB code: 2vg6:

Bromine binding site 1 out of 1 in 2vg6

Go back to Bromine Binding Sites List in 2vg6
Bromine binding site 1 out of 1 in the Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1551

b:44.0
occ:1.00
 BR2 A:NNB1551 0.0 44.0 1.0
C15 A:NNB1551 1.9 40.7 1.0
C16 A:NNB1551 2.9 42.3 1.0
C14 A:NNB1551 2.9 38.3 1.0
O A:HIS235 3.7 35.8 1.0
O A:LEU234 3.7 34.6 1.0
C A:HIS235 3.9 34.9 1.0
CD2 A:PHE227 3.9 44.7 1.0
CB A:LEU234 4.0 33.9 1.0
CG2 A:VAL106 4.0 33.0 1.0
CE2 A:PHE227 4.0 46.0 1.0
C A:LEU234 4.1 34.2 1.0
N A:PRO236 4.1 34.4 1.0
C17 A:NNB1551 4.2 40.8 1.0
C13 A:NNB1551 4.2 38.9 1.0
CG1 A:VAL106 4.2 33.6 1.0
CA A:PRO236 4.3 34.0 1.0
CB A:VAL106 4.5 33.1 1.0
N A:HIS235 4.5 34.2 1.0
CA A:HIS235 4.6 34.3 1.0
CA A:LEU234 4.7 34.3 1.0
C12 A:NNB1551 4.7 38.7 1.0
OH A:TYR318 4.7 30.7 1.0
CD1 A:LEU234 4.9 32.2 1.0
CD A:PRO236 4.9 34.3 1.0
CB A:PRO236 5.0 33.5 1.0

Reference:

A.Spallarossa, S.Cesarini, A.Ranise, M.Ponassi, T.Unge, M.Bolognesi. Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors. Biochem.Biophys.Res.Commun. V. 365 764 2008.
ISSN: ISSN 0006-291X
PubMed: 18035053
DOI: 10.1016/J.BBRC.2007.11.036
Page generated: Wed Jul 10 18:37:47 2024

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