Magnesium in PDB 8x21: Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:Etv-Tp Ternary Complex

The structure of Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:Etv-Tp Ternary Complex, PDB code: 8x21 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)	48.67 / 2.33
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	284.447, 284.447, 95.728, 90, 90, 120
R / Rfree (%)	17.5 / 21.8

The binding sites of Magnesium atom in the Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:Etv-Tp Ternary Complex (pdb code 8x21). 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:Etv-Tp Ternary Complex, PDB code: 8x21:
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:Etv-Tp 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:Etv-Tp Ternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:61.7 occ:1.00 O2B A:ET9601 1.9 72.7 1.0 O A:VAL111 1.9 67.5 1.0 O1G A:ET9601 2.2 77.0 1.0 OD2 A:ASP185 2.3 62.7 1.0 OD1 A:ASP110 2.6 80.6 1.0 O1A A:ET9601 2.6 83.0 1.0 PB A:ET9601 3.0 82.5 1.0 C A:VAL111 3.2 54.6 1.0 CG A:ASP185 3.2 54.0 1.0 PG A:ET9601 3.4 81.8 1.0 O3B A:ET9601 3.5 87.1 1.0 O3A A:ET9601 3.5 94.2 1.0 PA A:ET9601 3.6 86.6 1.0 CG A:ASP110 3.7 77.2 1.0 OD1 A:ASP185 3.8 55.0 1.0 CA A:GLY112 4.1 50.9 1.0 N A:GLY112 4.1 51.0 1.0 N A:ASP113 4.1 44.0 1.0 N A:VAL111 4.2 49.4 1.0 NZ A:LYS220 4.2 84.1 1.0 CB A:ASP185 4.2 47.4 1.0 CA A:VAL111 4.2 52.1 1.0 O1B A:ET9601 4.3 71.6 1.0 O3G A:ET9601 4.3 85.2 1.0 CB A:ALA114 4.3 39.4 1.0 C5' A:ET9601 4.3 68.2 1.0 C A:GLY112 4.3 51.5 1.0 N A:ALA114 4.3 46.5 1.0 O5' A:ET9601 4.4 79.5 1.0 O2G A:ET9601 4.4 82.7 1.0 OD2 A:ASP110 4.4 79.7 1.0 CB A:VAL111 4.7 48.9 1.0 C A:ASP110 4.7 51.0 1.0 CB A:ASP110 4.7 63.1 1.0 O2A A:ET9601 4.8 92.4 1.0 CA A:ALA114 4.9 44.0 1.0

Magnesium binding site 2 out of 2 in the Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:Etv-Tp 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:Etv-Tp Ternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg602 b:65.8 occ:1.00 O C:VAL111 1.8 89.7 1.0 O2B C:ET9601 2.1 72.4 1.0 O3G C:ET9601 2.2 82.0 1.0 OD2 C:ASP185 2.2 82.7 1.0 OD2 C:ASP110 2.4 83.8 1.0 O1A C:ET9601 2.6 88.8 1.0 C C:VAL111 3.0 73.9 1.0 PB C:ET9601 3.2 84.4 1.0 CG C:ASP185 3.3 67.9 1.0 PG C:ET9601 3.4 90.6 1.0 CG C:ASP110 3.5 78.2 1.0 O3B C:ET9601 3.6 89.1 1.0 PA C:ET9601 3.7 90.8 1.0 O3A C:ET9601 3.7 92.3 1.0 N C:VAL111 3.8 65.8 1.0 OD1 C:ASP185 3.8 65.3 1.0 N C:GLY112 3.9 73.0 1.0 CA C:VAL111 3.9 67.5 1.0 CA C:GLY112 4.0 70.8 1.0 N C:ASP113 4.1 72.2 1.0 O2G C:ET9601 4.2 94.2 1.0 C C:ASP110 4.3 67.7 1.0 OD1 C:ASP110 4.3 76.9 1.0 C C:GLY112 4.3 69.7 1.0 C5' C:ET9601 4.4 80.0 1.0 NZ C:LYS220 4.4 85.2 1.0 CB C:ASP110 4.4 71.6 1.0 O1G C:ET9601 4.5 93.9 1.0 O1B C:ET9601 4.5 81.6 1.0 CD C:LYS220 4.5 84.3 1.0 CB C:ASP185 4.5 60.1 1.0 O5' C:ET9601 4.6 87.0 1.0 CB C:VAL111 4.6 63.0 1.0 N C:ALA114 4.6 59.7 1.0 CB C:ALA114 4.7 57.3 1.0 O C:ASP110 4.8 71.7 1.0 CA C:ASP110 4.9 64.1 1.0 O2A C:ET9601 4.9 96.4 1.0 CE C:LYS220 4.9 85.1 1.0 O C:ASP185 5.0 57.4 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