Magnesium in PDB 7out: Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-264

All present enzymatic activity of Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-264:
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-264, PDB code: 7out 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)	53.81 / 3.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.597, 132.579, 139.419, 90, 98.72, 90
R / Rfree (%)	21.9 / 26.5

The binding sites of Magnesium atom in the Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-264 (pdb code 7out). 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-264, PDB code: 7out:

Magnesium binding site 1 out of 1 in the Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-264


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-264 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:235.1 occ:1.00 OD1 A:ASP110 2.0 229.5 1.0 OD1 A:ASP185 2.4 201.6 1.0 O17 A:1KK602 2.4 256.9 1.0 O18 A:1KK602 2.5 254.4 1.0 CG A:ASP185 2.5 201.9 1.0 OD2 A:ASP185 2.6 208.9 1.0 C16 A:1KK602 2.8 260.2 1.0 CG A:ASP110 2.9 217.7 1.0 OD2 A:ASP110 3.1 217.4 1.0 CB A:ASP185 3.6 204.5 1.0 O A:VAL111 3.9 196.6 1.0 CB A:ASP110 4.3 205.2 1.0 C10 A:1KK602 4.3 264.8 1.0 C3' P:DDG822 4.4 203.0 1.0 CA A:ASP185 4.8 186.7 1.0 N A:VAL111 4.9 203.7 1.0 C08 A:1KK602 4.9 237.2 1.0 C A:VAL111 4.9 196.5 1.0 CA A:ASP110 5.0 201.3 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