Arsenic in PDB 4lh5: Dual Inhibition of Hiv-1 Replication By Integrase-Ledgf Allosteric Inhibitors Is Predominant at Post-Integration Stage During Virus Production Rather Than at Integration

The structure of Dual Inhibition of Hiv-1 Replication By Integrase-Ledgf Allosteric Inhibitors Is Predominant at Post-Integration Stage During Virus Production Rather Than at Integration, PDB code: 4lh5 was solved by M.Ruff, N.Levy, S.Eiler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.59 / 2.19
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.938, 72.938, 65.881, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 23.6

The structure of Dual Inhibition of Hiv-1 Replication By Integrase-Ledgf Allosteric Inhibitors Is Predominant at Post-Integration Stage During Virus Production Rather Than at Integration also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Arsenic atom in the Dual Inhibition of Hiv-1 Replication By Integrase-Ledgf Allosteric Inhibitors Is Predominant at Post-Integration Stage During Virus Production Rather Than at Integration (pdb code 4lh5). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Dual Inhibition of Hiv-1 Replication By Integrase-Ledgf Allosteric Inhibitors Is Predominant at Post-Integration Stage During Virus Production Rather Than at Integration, PDB code: 4lh5:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Dual Inhibition of Hiv-1 Replication By Integrase-Ledgf Allosteric Inhibitors Is Predominant at Post-Integration Stage During Virus Production Rather Than at Integration


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Dual Inhibition of Hiv-1 Replication By Integrase-Ledgf Allosteric Inhibitors Is Predominant at Post-Integration Stage During Virus Production Rather Than at Integration within 5.0Å range: probe atom residue distance (Å) B Occ A:As65 b:44.4 occ:1.00 AS A:CAS65 0.0 44.4 1.0 CE2 A:CAS65 1.9 39.7 1.0 CE1 A:CAS65 2.0 39.1 1.0 SG A:CAS65 2.3 39.1 1.0 CB A:CAS65 3.1 35.7 1.0 OD1 A:ASN120 3.5 32.7 1.0 N A:CAS65 3.5 31.8 1.0 ND2 A:ASN120 3.7 28.0 1.0 CG A:ASN120 3.7 34.6 1.0 MG A:MG302 3.8 51.8 1.0 CA A:CAS65 3.9 35.7 1.0 OE1 A:GLU92 3.9 48.1 1.0 CG A:GLU92 4.0 41.9 1.0 O A:HOH423 4.1 42.7 1.0 O A:HOH409 4.2 44.2 1.0 C A:ASP64 4.2 32.0 1.0 CD A:GLU92 4.4 42.1 1.0 OG1 A:THR97 4.5 27.1 1.0 CA A:ASP64 4.6 31.9 1.0 CB A:ASN120 4.7 27.8 1.0 O A:HOH417 4.8 32.2 1.0 O A:ASP64 4.8 32.7 1.0 CG A:LEU74 5.0 41.6 1.0

Arsenic binding site 2 out of 2 in the Dual Inhibition of Hiv-1 Replication By Integrase-Ledgf Allosteric Inhibitors Is Predominant at Post-Integration Stage During Virus Production Rather Than at Integration


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Dual Inhibition of Hiv-1 Replication By Integrase-Ledgf Allosteric Inhibitors Is Predominant at Post-Integration Stage During Virus Production Rather Than at Integration within 5.0Å range: probe atom residue distance (Å) B Occ A:As130 b:47.2 occ:1.00 AS A:CAS130 0.0 47.2 1.0 CE2 A:CAS130 1.9 41.2 1.0 CE1 A:CAS130 2.0 49.8 1.0 SG A:CAS130 2.2 31.2 1.0 CB A:CAS130 3.1 28.1 1.0 N A:GLN137 4.1 43.3 1.0 C A:LYS136 4.1 39.6 1.0 O A:ILE135 4.2 28.9 1.0 CG2 A:ILE135 4.2 31.5 1.0 O A:LYS136 4.3 36.8 1.0 CA A:GLN137 4.5 54.1 1.0 CA A:CAS130 4.5 23.8 1.0 CA A:LYS136 4.6 42.1 1.0 CB A:GLN137 4.6 53.7 1.0 C A:ILE135 4.7 33.2 1.0 O A:HOH466 4.7 40.3 1.0 CB A:ILE135 4.7 29.5 1.0 N A:LYS136 4.9 36.9 1.0 CD2 A:PHE121 4.9 33.7 1.0 O A:HOH468 5.0 44.2 1.0 CG1 A:VAL126 5.0 28.2 1.0

E.Le Rouzic, D.Bonnard, S.Chasset, J.M.Bruneau, F.Chevreuil, F.Le Strat, J.Nguyen, R.Beauvoir, C.Amadori, J.Brias, S.Vomscheid, S.Eiler, N.Levy, O.Delelis, E.Deprez, A.Saib, A.Zamborlini, S.Emiliani, M.Ruff, B.Ledoussal, F.Moreau, R.Benarous. Dual Inhibition of Hiv-1 Replication By Integrase-Ledgf Allosteric Inhibitors Is Predominant at the Post-Integration Stage. Retrovirology V. 10 144 2013.
ISSN: ESSN 1742-4690
PubMed: 24261564
DOI: 10.1186/1742-4690-10-144