Manganese in PDB 7otn: Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-247

All present enzymatic activity of Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-247:
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-247, PDB code: 7otn 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)	95.23 / 3.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.82, 132.35, 138.62, 90, 98.45, 90
R / Rfree (%)	21.4 / 25.4

The binding sites of Manganese atom in the Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-247 (pdb code 7otn). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-247, PDB code: 7otn:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-247


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-247 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn600 b:239.3 occ:1.00 OD2 C:ASP185 1.9 197.1 1.0 O22 C:1IH601 2.1 211.2 1.0 OD1 C:ASP110 2.2 213.1 1.0 O C:VAL111 2.7 196.9 1.0 CG C:ASP110 2.9 192.6 1.0 OD2 C:ASP110 3.1 181.8 1.0 CG C:ASP185 3.1 173.8 1.0 C20 C:1IH601 3.3 224.1 1.0 OD1 C:ASP185 3.8 177.4 1.0 C C:VAL111 3.9 196.3 1.0 C14 C:1IH601 4.1 228.5 1.0 CB C:ASP185 4.1 154.4 1.0 O21 C:1IH601 4.3 205.7 1.0 N C:VAL111 4.3 175.3 1.0 CB C:ASP110 4.4 176.4 1.0 C C:ASP110 4.6 185.1 1.0 CA C:VAL111 4.7 184.9 1.0 CB C:ALA114 4.8 198.1 1.0 CG2 C:VAL111 4.8 150.4 1.0 N C:ASP113 4.9 205.7 1.0 N C:GLY112 4.9 183.1 1.0 CA C:GLY112 4.9 184.5 1.0 C12 C:1IH601 4.9 178.6 1.0 CA C:ASP110 4.9 166.6 1.0 N C:ALA114 5.0 208.5 1.0

Manganese binding site 2 out of 2 in the Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-247


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Hiv-1 Reverse Transcriptase Complex with Dna and Inhibitor Rmc-247 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn600 b:198.7 occ:1.00 OD2 A:ASP185 1.8 179.8 1.0 O22 A:1IH601 2.1 181.1 1.0 OD1 A:ASP110 2.1 188.4 1.0 CG A:ASP110 2.7 182.4 1.0 OD2 A:ASP110 2.8 179.0 1.0 CG A:ASP185 2.9 171.0 1.0 C20 A:1IH601 3.0 183.5 1.0 O A:VAL111 3.0 185.3 1.0 OD1 A:ASP185 3.4 169.1 1.0 C14 A:1IH601 3.6 181.9 1.0 C A:VAL111 4.0 180.4 1.0 CB A:ASP185 4.1 159.4 1.0 O21 A:1IH601 4.1 166.9 1.0 C12 A:1IH601 4.2 176.2 1.0 CB A:ASP110 4.2 176.1 1.0 N A:VAL111 4.2 170.9 1.0 N13 A:1IH601 4.5 190.1 1.0 C A:ASP110 4.6 182.3 1.0 CA A:VAL111 4.7 167.0 1.0 CA A:ASP110 4.7 171.8 1.0 C15 A:1IH601 4.8 190.0 1.0 CB A:ALA114 4.8 168.7 1.0 N A:ASP113 5.0 188.2 1.0 N A:GLY112 5.0 183.0 1.0 C3' P:DDG822 5.0 177.9 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