Magnesium in PDB 8bv2: Biological and Structural Analysis of New Potent Integrase-Ledgf Allosteric Hiv-1 Inhibitors

The structure of Biological and Structural Analysis of New Potent Integrase-Ledgf Allosteric Hiv-1 Inhibitors, PDB code: 8bv2 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)	19.97 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.57, 72.57, 65.965, 90, 90, 120
R / Rfree (%)	19.6 / 22.6

The structure of Biological and Structural Analysis of New Potent Integrase-Ledgf Allosteric Hiv-1 Inhibitors also contains other interesting chemical elements:

Arsenic

(As)

2 atoms

The binding sites of Magnesium atom in the Biological and Structural Analysis of New Potent Integrase-Ledgf Allosteric Hiv-1 Inhibitors (pdb code 8bv2). 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 Biological and Structural Analysis of New Potent Integrase-Ledgf Allosteric Hiv-1 Inhibitors, PDB code: 8bv2:

Magnesium binding site 1 out of 1 in the Biological and Structural Analysis of New Potent Integrase-Ledgf Allosteric Hiv-1 Inhibitors


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Biological and Structural Analysis of New Potent Integrase-Ledgf Allosteric Hiv-1 Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:39.0 occ:1.00 O A:HOH429 2.7 37.0 1.0 N A:CAS65 2.8 23.7 1.0 ND2 A:ASN120 3.0 22.6 1.0 O A:HOH402 3.0 35.8 1.0 CA A:ASP64 3.4 25.6 1.0 C A:ASP64 3.6 26.7 1.0 O A:HOH458 3.6 40.3 1.0 CB A:ASP64 3.6 23.3 1.0 AS A:CAS65 3.6 32.8 1.0 O A:CAS65 3.7 28.4 1.0 O A:HOH454 3.8 35.6 1.0 CA A:CAS65 3.8 24.9 1.0 O A:HOH442 3.9 37.5 1.0 CG A:ASN120 3.9 33.4 1.0 OD1 A:ASP64 4.0 29.0 1.0 OD1 A:ASN120 4.0 33.2 1.0 CB A:CAS65 4.1 24.5 1.0 CB A:ASN117 4.1 23.8 1.0 C A:CAS65 4.3 29.8 1.0 CG A:ASP64 4.3 27.7 1.0 CE2 A:CAS65 4.4 27.6 1.0 OG1 A:THR115 4.5 20.1 1.0 OE2 A:GLU92 4.6 35.1 1.0 SG A:CAS65 4.7 26.1 1.0 N A:ASP64 4.8 21.2 1.0 O A:ASP64 4.8 26.0 1.0 O A:LEU63 4.9 22.6 1.0 N A:ASN117 4.9 22.1 1.0 ND2 A:ASN117 5.0 28.7 1.0

M.Ruff, R.Benarous. Biological and Structural Analysis of New Potent Integrase-Ledgf Allosteric Hiv-1 Inhibitors To Be Published.