Magnesium in PDB 7ota: Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-230

All present enzymatic activity of Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-230:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13;

The structure of Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-230, PDB code: 7ota was solved by S.E.Martinez, A.K.Singh, W.Gu, K.Das, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.50 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.677, 132.088, 138.49, 90, 98.41, 90
R / Rfree (%)	23.1 / 26.9

The binding sites of Magnesium atom in the Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-230 (pdb code 7ota). 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 Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-230, PDB code: 7ota:

Magnesium binding site 1 out of 1 in the Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-230


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-230 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg600 b:143.9 occ:1.00 O23 A:1I1601 2.1 173.0 1.0 OD2 A:ASP110 2.3 182.1 1.0 CG A:ASP110 2.7 185.7 1.0 OD1 A:ASP110 2.7 189.2 1.0 C17 A:1I1601 2.8 192.2 1.0 N18 A:1I1601 3.3 204.8 1.0 OD2 A:ASP185 4.0 160.8 1.0 CB A:ASP110 4.0 177.8 1.0 C14 A:1I1601 4.0 192.4 1.0 CE A:LYS220 4.3 164.1 1.0 C3' P:DDG822 4.4 184.3 1.0 C15 A:1I1601 4.4 188.3 1.0 OD1 A:ASP185 4.5 168.0 1.0 CG A:ASP185 4.5 166.2 1.0 P19 A:1I1601 4.9 209.3 1.0

W.Gu, S.E.Martinez, A.K.Singh, H.Nguyen, J.Rozenski, D.Schols, P.Herdewijn, K.Das, S.De Jonghe. Exploring the Dntp -Binding Site of Hiv-1 Reverse Transcriptase For Inhibitor Design Eur.J.Med.Chem. V. 225 2021.
ISSN: ISSN 0223-5234
DOI: 10.1016/J.EJMECH.2021.113785