Magnesium in PDB 8x22: Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:Dgtp Ternary Complex

The structure of Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:Dgtp Ternary Complex, PDB code: 8x22 was solved by Y.Yasutake, S.I.Hattori, H.Mitsuya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.81 / 2.31
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	285.227, 285.227, 96.075, 90, 90, 120
R / Rfree (%)	18.3 / 21.9

The binding sites of Magnesium atom in the Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:Dgtp Ternary Complex (pdb code 8x22). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:Dgtp Ternary Complex, PDB code: 8x22:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:Dgtp Ternary Complex


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 Mutant Q151M/Y115F/F116Y/L74V:Dna:Dgtp Ternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:51.0 occ:1.00 O A:VAL111 2.0 66.9 1.0 O1B A:DGT601 2.0 52.4 1.0 O2G A:DGT601 2.2 59.0 1.0 OD2 A:ASP185 2.2 54.1 1.0 O1A A:DGT601 2.3 60.4 1.0 OD1 A:ASP110 2.4 61.9 1.0 PB A:DGT601 3.2 57.4 1.0 C A:VAL111 3.3 57.1 1.0 CG A:ASP185 3.4 50.6 1.0 PG A:DGT601 3.4 62.4 1.0 CG A:ASP110 3.4 62.1 1.0 PA A:DGT601 3.5 58.2 1.0 O3A A:DGT601 3.7 58.8 1.0 O3B A:DGT601 3.7 64.2 1.0 OD1 A:ASP185 3.9 52.7 1.0 OD2 A:ASP110 4.0 60.6 1.0 O1G A:DGT601 4.0 60.1 1.0 C5' A:DGT601 4.0 54.5 1.0 NZ A:LYS220 4.1 78.5 1.0 N A:VAL111 4.1 52.0 1.0 CA A:GLY112 4.1 52.6 1.0 N A:GLY112 4.1 54.2 1.0 CA A:VAL111 4.2 53.3 1.0 O5' A:DGT601 4.3 58.3 1.0 N A:ASP113 4.3 50.2 1.0 O2B A:DGT601 4.5 61.2 1.0 C A:GLY112 4.5 54.6 1.0 O3G A:DGT601 4.5 67.8 1.0 CB A:ASP185 4.5 45.9 1.0 C A:ASP110 4.6 53.1 1.0 CB A:ASP110 4.6 57.5 1.0 CB A:ALA114 4.6 34.0 1.0 O2A A:DGT601 4.6 64.9 1.0 N A:ALA114 4.7 46.7 1.0 CE A:LYS220 4.7 79.0 1.0 CB A:VAL111 4.9 50.5 1.0

Magnesium binding site 2 out of 2 in the Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:Dgtp Ternary Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:Dgtp Ternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg602 b:55.7 occ:1.00 O C:VAL111 2.0 83.3 1.0 O1B C:DGT601 2.1 59.5 1.0 OD2 C:ASP185 2.2 77.0 1.0 OD2 C:ASP110 2.4 71.5 1.0 O1G C:DGT601 2.5 79.3 1.0 O1A C:DGT601 2.6 59.6 1.0 C C:VAL111 3.2 70.1 1.0 PB C:DGT601 3.3 70.5 1.0 CG C:ASP185 3.4 67.0 1.0 PG C:DGT601 3.5 80.9 1.0 CG C:ASP110 3.6 68.9 1.0 O3B C:DGT601 3.8 75.3 1.0 PA C:DGT601 3.8 68.2 1.0 OD1 C:ASP185 3.9 65.6 1.0 O3A C:DGT601 3.9 75.3 1.0 CA C:GLY112 3.9 64.9 1.0 N C:GLY112 4.0 67.3 1.0 O3G C:DGT601 4.0 83.0 1.0 N C:ASP113 4.1 65.7 1.0 N C:VAL111 4.1 62.9 1.0 CA C:VAL111 4.2 64.9 1.0 C5' C:DGT601 4.2 62.0 1.0 NZ C:LYS220 4.3 81.6 1.0 OD1 C:ASP110 4.3 67.4 1.0 C C:GLY112 4.3 64.2 1.0 CD C:LYS220 4.3 81.5 1.0 C C:ASP110 4.5 62.1 1.0 N C:ALA114 4.5 57.8 1.0 CB C:ASP185 4.5 58.3 1.0 O2B C:DGT601 4.5 68.2 1.0 CB C:ASP110 4.6 63.2 1.0 O5' C:DGT601 4.6 64.6 1.0 CB C:ALA114 4.6 49.6 1.0 CE C:LYS220 4.8 82.7 1.0 O2G C:DGT601 4.8 84.9 1.0 CB C:VAL111 4.8 61.0 1.0 O C:ASP110 4.9 62.2 1.0 O2A C:DGT601 5.0 73.4 1.0

Y.Yasutake, S.I.Hattori, H.Kumamoto, N.Tamura, K.Maeda, H.Mitsuya. Deviated Binding of Anti-Hbv Nucleoside Analog E-Cfcp-Tp to the Reverse Transcriptase Active Site Attenuates the Effect of Drug-Resistant Mutations. Sci Rep V. 14 15742 2024.
ISSN: ESSN 2045-2322
PubMed: 38977798
DOI: 10.1038/S41598-024-66505-Z