Magnesium in PDB 5oia: Dissociation of Biochemical and Antiretroviral Activities of Integrase-Ledgf Allosteric Inhibitors Revealed By Resistance of A125 Polymorphic Hiv-1

The structure of Dissociation of Biochemical and Antiretroviral Activities of Integrase-Ledgf Allosteric Inhibitors Revealed By Resistance of A125 Polymorphic Hiv-1, PDB code: 5oia was solved by M.Ruff, R.Benarous, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.87 / 2.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.599, 72.599, 66.250, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 22.5

The structure of Dissociation of Biochemical and Antiretroviral Activities of Integrase-Ledgf Allosteric Inhibitors Revealed By Resistance of A125 Polymorphic Hiv-1 also contains other interesting chemical elements:

Arsenic

(As)

2 atoms

The binding sites of Magnesium atom in the Dissociation of Biochemical and Antiretroviral Activities of Integrase-Ledgf Allosteric Inhibitors Revealed By Resistance of A125 Polymorphic Hiv-1 (pdb code 5oia). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Dissociation of Biochemical and Antiretroviral Activities of Integrase-Ledgf Allosteric Inhibitors Revealed By Resistance of A125 Polymorphic Hiv-1, PDB code: 5oia:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Dissociation of Biochemical and Antiretroviral Activities of Integrase-Ledgf Allosteric Inhibitors Revealed By Resistance of A125 Polymorphic Hiv-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Dissociation of Biochemical and Antiretroviral Activities of Integrase-Ledgf Allosteric Inhibitors Revealed By Resistance of A125 Polymorphic Hiv-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:63.7 occ:1.00 ND2 A:ASN120 3.3 51.4 1.0 N A:CAS65 3.3 46.6 1.0 OD1 A:ASP64 3.5 63.1 1.0 CA A:ASP64 3.6 52.3 1.0 CB A:ASP64 3.6 47.5 1.0 O A:CAS65 3.8 54.7 1.0 CB A:ASN117 3.9 47.5 1.0 C A:ASP64 3.9 46.0 1.0 CG A:ASP64 4.0 56.9 1.0 AS A:CAS65 4.1 56.3 1.0 CG A:ASN120 4.3 51.6 1.0 CA A:CAS65 4.3 54.4 1.0 OG1 A:THR115 4.4 38.9 1.0 OD1 A:ASN120 4.4 55.1 1.0 CB A:CAS65 4.5 52.1 1.0 N A:ASN117 4.5 41.0 1.0 C A:CAS65 4.5 57.9 1.0 OE2 A:GLU92 4.5 69.3 1.0 CE2 A:CAS65 4.7 53.8 1.0 CA A:ASN117 4.8 43.8 1.0 ND2 A:ASN117 4.9 53.4 1.0 N A:ASP64 4.9 43.0 1.0 CG A:ASN117 4.9 52.1 1.0 O A:LEU63 5.0 50.1 1.0

Magnesium binding site 2 out of 2 in the Dissociation of Biochemical and Antiretroviral Activities of Integrase-Ledgf Allosteric Inhibitors Revealed By Resistance of A125 Polymorphic Hiv-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Dissociation of Biochemical and Antiretroviral Activities of Integrase-Ledgf Allosteric Inhibitors Revealed By Resistance of A125 Polymorphic Hiv-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:57.7 occ:1.00 O A:HOH441 2.7 54.4 1.0 O A:HOH435 2.8 59.7 1.0 O A:HOH458 3.1 73.1 1.0 CB A:SER123 3.4 55.0 1.0 N A:ALA125 3.7 41.7 1.0 N A:ALA124 3.8 45.1 1.0 OG A:SER123 3.8 42.7 1.0 CB A:ALA125 3.9 41.4 1.0 NE2 A:GLN95 4.1 69.5 1.0 CA A:SER123 4.2 47.3 1.0 C A:SER123 4.3 45.9 1.0 CA A:ALA125 4.4 43.8 1.0 CA A:ALA124 4.6 46.7 1.0 C A:ALA124 4.6 41.3 1.0 CB A:ALA124 4.6 41.2 1.0

D.Bonnard, E.Le Rouzic, S.Eiler, C.Amadori, I.Orlov, J.M.Bruneau, J.Brias, J.Barbion, F.Chevreuil, D.Spehner, S.Chasset, B.Ledoussal, F.Moreau, A.Saib, B.P.Klaholz, S.Emiliani, M.Ruff, A.Zamborlini, R.Benarous. Structure-Function Analyses Unravel Distinct Effects of Allosteric Inhibitors of Hiv-1 Integrase on Viral Maturation and Integration. J. Biol. Chem. V. 293 6172 2018.
ISSN: ESSN 1083-351X
PubMed: 29507092
DOI: 10.1074/JBC.M117.816793