Magnesium in PDB 8x20: Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:E-Cfcp- Tp Ternary Complex

The structure of Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:E-Cfcp- Tp Ternary Complex, PDB code: 8x20 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)	48.60 / 2.70
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	284.069, 284.069, 95.605, 90, 90, 120
R / Rfree (%)	17.4 / 23.1

The structure of Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:E-Cfcp- Tp Ternary Complex also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Magnesium atom in the Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:E-Cfcp- Tp Ternary Complex (pdb code 8x20). 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 Mutant Q151M/Y115F/F116Y/L74V:Dna:E-Cfcp- Tp Ternary Complex, PDB code: 8x20:

Magnesium binding site 1 out of 1 in the Hiv-1 Reverse Transcriptase Mutant Q151M/Y115F/F116Y/L74V:Dna:E-Cfcp- 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:E-Cfcp- Tp Ternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg602 b:81.6 occ:1.00 O C:VAL111 2.0 105.1 1.0 OD2 C:ASP110 2.2 108.5 0.4 OD2 C:ASP185 2.2 111.9 1.0 O2G C:XTE601 2.2 174.8 1.0 O2B C:XTE601 2.4 129.9 1.0 O2A C:XTE601 2.8 103.3 1.0 CG C:ASP110 3.1 94.8 0.4 C C:VAL111 3.2 79.9 1.0 CG C:ASP185 3.4 95.0 1.0 PG C:XTE601 3.6 154.0 1.0 PB C:XTE601 3.7 129.0 1.0 OD1 C:ASP110 3.7 97.8 0.4 N C:VAL111 3.8 78.4 1.0 PA C:XTE601 4.0 107.1 1.0 CA C:VAL111 4.0 76.3 1.0 O3B C:XTE601 4.1 139.6 1.0 N C:GLY112 4.1 69.2 1.0 OD1 C:ASP185 4.2 103.5 1.0 CA C:GLY112 4.2 68.1 1.0 CB C:ASP110 4.2 87.3 0.4 CB C:ASP110 4.2 87.2 0.6 O3A C:XTE601 4.2 118.7 1.0 CB C:ASP185 4.4 84.5 1.0 C C:ASP110 4.4 80.0 1.0 C5' C:XTE601 4.5 97.4 1.0 O1G C:XTE601 4.5 159.5 1.0 O3G C:XTE601 4.5 153.1 1.0 N C:ASP113 4.7 65.2 1.0 CG C:ASP110 4.7 92.9 0.6 CB C:VAL111 4.7 69.2 1.0 C C:GLY112 4.7 69.0 1.0 O5' C:XTE601 4.8 97.0 1.0 CA C:ASP110 4.8 80.7 0.6 CA C:ASP110 4.8 81.1 0.4 O1B C:XTE601 4.9 126.6 1.0 OD2 C:ASP110 4.9 94.3 0.6 CB C:ALA114 4.9 74.7 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