Magnesium in PDB 7ot6: Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-282

All present enzymatic activity of Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-282:
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-282, PDB code: 7ot6 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)	95.70 / 3.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.447, 132.679, 139.717, 90, 98.51, 90
R / Rfree (%)	22.3 / 25.8

The binding sites of Magnesium atom in the Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-282 (pdb code 7ot6). 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-282, PDB code: 7ot6:

Magnesium binding site 1 out of 1 in the Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-282


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-282 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg600 b:168.2 occ:1.00 O24 A:1I4601 2.0 174.3 1.0 OD2 A:ASP185 2.1 171.6 1.0 OD1 A:ASP185 2.4 141.8 1.0 CG A:ASP185 2.5 152.2 1.0 O23 A:1I4601 2.6 174.3 1.0 C22 A:1I4601 2.6 175.2 1.0 OD2 A:ASP110 2.7 165.0 1.0 OD1 A:ASP110 2.8 183.4 1.0 CG A:ASP110 3.1 174.7 1.0 O A:VAL111 3.3 176.1 1.0 CB A:ASP185 3.9 158.2 1.0 C3' P:DDG822 3.9 162.9 1.0 C21 A:1I4601 4.1 175.0 1.0 C2' P:DDG822 4.3 155.4 1.0 C A:VAL111 4.4 155.0 1.0 CB A:ASP110 4.5 153.3 1.0 N A:VAL111 4.6 149.9 1.0 CA A:ASP185 4.8 151.8 1.0 C12 A:1I4601 4.8 161.5 1.0 C A:ASP185 5.0 147.0 1.0 N A:ASP185 5.0 144.8 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