Magnesium 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:

Arsenic

(As)

2 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total only one binding site of Magnesium was 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:

Magnesium binding site 1 out of 1 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 Magnesium with other atoms in the Mg 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:Mg302 b:51.8 occ:1.00 O A:HOH423 2.9 42.7 1.0 O A:HOH474 2.9 60.0 1.0 N A:CAS65 2.9 31.8 1.0 ND2 A:ASN120 3.1 28.0 1.0 CA A:ASP64 3.5 31.9 1.0 O A:CAS65 3.6 36.5 1.0 CB A:ASP64 3.7 28.5 1.0 C A:ASP64 3.7 32.0 1.0 AS A:CAS65 3.8 44.4 1.0 CA A:CAS65 3.9 35.7 1.0 OD1 A:ASP64 4.0 35.9 1.0 CG A:ASN120 4.0 34.6 1.0 OD1 A:ASN120 4.1 32.7 1.0 CB A:CAS65 4.1 35.7 1.0 CB A:ASN117 4.2 31.9 1.0 C A:CAS65 4.2 38.8 1.0 OE1 A:GLU92 4.3 48.1 1.0 CE1 A:CAS65 4.4 39.1 1.0 CG A:ASP64 4.4 38.3 1.0 OG1 A:THR115 4.6 22.5 1.0 SG A:CAS65 4.8 39.1 1.0 N A:ASP64 4.9 27.7 1.0 ND2 A:ASN117 4.9 32.2 1.0 O A:ASP64 4.9 32.7 1.0 N A:ASN117 5.0 30.0 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