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Iodine in PDB 2vg7: 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: 2vg7 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 / 2.82
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 119.944, 156.996, 154.420, 90.00, 90.00, 90.00
R / Rfree (%) 25.5 / 33.3

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors (pdb code 2vg7). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structures of Hiv-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors, PDB code: 2vg7:

Iodine binding site 1 out of 1 in 2vg7

Go back to Iodine Binding Sites List in 2vg7
Iodine 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 Iodine with other atoms in the I 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:I1551

b:81.0
occ:1.00
 I15 A:NNI1551 0.0 81.0 1.0
C15 A:NNI1551 2.1 72.0 1.0
C16 A:NNI1551 3.0 72.6 1.0
C14 A:NNI1551 3.1 72.3 1.0
CD1 A:PHE227 3.3 71.9 1.0
CE1 A:PHE227 3.4 73.3 1.0
CG1 A:VAL106 3.6 46.0 1.0
CG2 A:VAL106 3.8 47.7 1.0
O A:LEU234 3.8 51.8 1.0
CB A:LEU234 3.9 49.8 1.0
O A:HIS235 4.0 50.8 1.0
C A:HIS235 4.0 50.3 1.0
CB A:VAL106 4.0 47.7 1.0
C A:LEU234 4.1 50.5 1.0
N A:PRO236 4.1 50.2 1.0
CA A:PRO236 4.3 49.4 1.0
C17 A:NNI1551 4.4 70.3 1.0
C13 A:NNI1551 4.4 70.3 1.0
N A:HIS235 4.5 50.3 1.0
CA A:HIS235 4.6 50.2 1.0
CG A:PHE227 4.6 71.1 1.0
CA A:LEU234 4.6 50.0 1.0
CZ A:PHE227 4.7 71.6 1.0
CD A:PRO236 4.8 50.5 1.0
OH A:TYR318 4.9 35.9 1.0
CD1 A:LEU234 4.9 51.4 1.0
C12 A:NNI1551 4.9 68.2 1.0
CG A:LEU234 5.0 50.5 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: Sun Dec 13 19:25:26 2020

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