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Chlorine in PDB 2vg5: 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: 2vg5 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 / 2.80
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 118.863, 156.127, 154.569, 90.00, 90.00, 90.00
R / Rfree (%) 23.7 / 29.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors (pdb code 2vg5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors, PDB code: 2vg5:

Chlorine binding site 1 out of 1 in 2vg5

Go back to Chlorine Binding Sites List in 2vg5
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1551

b:36.3
occ:1.00
 CL2 A:NNC1551 0.0 36.3 1.0
C15 A:NNC1551 1.7 34.5 1.0
C16 A:NNC1551 2.7 34.5 1.0
C14 A:NNC1551 2.7 35.2 1.0
CG1 A:VAL106 3.4 37.6 1.0
CD2 A:PHE227 3.6 49.0 1.0
CE2 A:PHE227 3.7 50.4 1.0
CG2 A:VAL106 3.7 39.0 1.0
O A:LEU234 3.9 35.9 1.0
O A:HIS235 3.9 35.9 1.0
CB A:LEU234 3.9 34.7 1.0
CB A:VAL106 4.0 38.1 1.0
C17 A:NNC1551 4.0 35.5 1.0
C13 A:NNC1551 4.0 35.8 1.0
C A:HIS235 4.1 35.5 1.0
C A:LEU234 4.1 35.6 1.0
N A:PRO236 4.3 35.7 1.0
CA A:PRO236 4.4 35.4 1.0
C12 A:NNC1551 4.5 36.0 1.0
OH A:TYR318 4.6 29.5 1.0
N A:HIS235 4.6 35.7 1.0
CA A:LEU234 4.6 35.4 1.0
CA A:HIS235 4.7 35.4 1.0
CG A:PHE227 4.8 47.6 1.0
CZ A:PHE227 4.9 50.6 1.0
CD1 A:LEU234 4.9 30.9 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: Sat Jul 20 11:51:23 2024

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