Magnesium in PDB 5xn1: Hiv-1 Reverse Transcriptase Q151M:Dna:Entecavir-Triphosphate Ternary Complex

The structure of Hiv-1 Reverse Transcriptase Q151M:Dna:Entecavir-Triphosphate Ternary Complex, PDB code: 5xn1 was solved by Y.Yasutake, N.Tamura, H.Hayashi, K.Maeda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.02 / 2.45
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	284.707, 284.707, 95.793, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 22.7

The binding sites of Magnesium atom in the Hiv-1 Reverse Transcriptase Q151M:Dna:Entecavir-Triphosphate Ternary Complex (pdb code 5xn1). 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 Q151M:Dna:Entecavir-Triphosphate Ternary Complex, PDB code: 5xn1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Hiv-1 Reverse Transcriptase Q151M:Dna:Entecavir-Triphosphate 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 Q151M:Dna:Entecavir-Triphosphate Ternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:32.1 occ:0.41 O1B A:ET9601 1.8 47.7 1.0 O3G A:ET9601 2.0 51.8 1.0 O A:VAL111 2.0 49.2 1.0 OD1 A:ASP110 2.1 50.1 0.5 OD2 A:ASP185 2.1 50.6 1.0 O1A A:ET9601 2.2 73.0 1.0 CG A:ASP110 2.9 44.4 0.5 PB A:ET9601 3.1 65.3 1.0 OD2 A:ASP110 3.2 43.8 0.5 C A:VAL111 3.2 43.2 1.0 PG A:ET9601 3.2 66.1 1.0 CG A:ASP185 3.3 45.1 1.0 PA A:ET9601 3.4 72.9 1.0 O3B A:ET9601 3.6 70.5 1.0 O3A A:ET9601 3.7 73.8 1.0 OD1 A:ASP185 3.9 41.6 1.0 O2G A:ET9601 3.9 64.1 1.0 N A:VAL111 4.0 39.9 1.0 C5' A:ET9601 4.0 62.8 1.0 N A:GLY112 4.1 39.2 1.0 CA A:GLY112 4.1 44.5 1.0 CA A:VAL111 4.2 42.4 1.0 O5' A:ET9601 4.2 68.6 1.0 NZ A:LYS220 4.3 67.5 1.0 O2B A:ET9601 4.3 62.1 1.0 O1G A:ET9601 4.3 66.9 1.0 CB A:ASP110 4.3 43.6 0.5 CB A:ASP110 4.3 43.8 0.5 CB A:ASP185 4.4 41.8 1.0 N A:ASP113 4.4 47.9 1.0 O2A A:ET9601 4.5 73.8 1.0 C A:GLY112 4.5 48.9 1.0 CB A:ALA114 4.5 31.6 1.0 C A:ASP110 4.5 42.9 1.0 N A:ALA114 4.7 46.8 1.0 CD A:LYS220 4.8 62.6 1.0 OD2 A:ASP110 4.8 41.2 0.5 CB A:VAL111 4.8 42.7 1.0 CG A:ASP110 4.8 42.6 0.5 CA A:ASP110 4.9 42.6 0.5 CA A:ASP110 5.0 42.6 0.5 CE A:LYS220 5.0 66.8 1.0

Magnesium binding site 2 out of 2 in the Hiv-1 Reverse Transcriptase Q151M:Dna:Entecavir-Triphosphate 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 Q151M:Dna:Entecavir-Triphosphate Ternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg602 b:54.8 occ:1.00 O C:VAL111 1.9 83.7 1.0 O2G C:ET9601 2.1 66.7 1.0 OD2 C:ASP110 2.2 83.6 1.0 O2B C:ET9601 2.2 82.2 1.0 OD2 C:ASP185 2.4 61.4 1.0 O1A C:ET9601 2.5 84.6 1.0 C C:VAL111 3.0 73.9 1.0 CG C:ASP110 3.3 76.7 1.0 PG C:ET9601 3.4 77.9 1.0 CG C:ASP185 3.5 57.2 1.0 PB C:ET9601 3.5 81.0 1.0 PA C:ET9601 3.8 83.4 1.0 N C:VAL111 3.8 64.6 1.0 N C:GLY112 3.9 71.3 1.0 CA C:GLY112 3.9 68.9 1.0 O3B C:ET9601 3.9 79.7 1.0 OD1 C:ASP185 4.0 56.6 1.0 CA C:VAL111 4.0 66.5 1.0 O3A C:ET9601 4.1 84.1 1.0 C C:ASP110 4.1 64.9 1.0 CB C:ASP110 4.1 69.0 1.0 OD1 C:ASP110 4.1 79.2 1.0 O3G C:ET9601 4.2 79.6 1.0 O1G C:ET9601 4.4 81.1 1.0 N C:ASP113 4.4 65.1 1.0 C C:GLY112 4.5 66.2 1.0 O C:ASP110 4.5 67.7 1.0 C5' C:ET9601 4.6 74.1 1.0 CB C:ASP185 4.6 54.8 1.0 CA C:ASP110 4.6 63.0 1.0 O1B C:ET9601 4.7 79.5 1.0 O5' C:ET9601 4.7 79.9 1.0 O2A C:ET9601 4.7 86.5 1.0 CB C:VAL111 4.7 61.6 1.0 CB C:ALA114 4.9 52.5 1.0 N C:ALA114 4.9 59.4 1.0 O C:ASP185 5.0 51.9 1.0

Y.Yasutake, S.I.Hattori, H.Hayashi, K.Matsuda, N.Tamura, S.Kohgo, K.Maeda, H.Mitsuya. Hiv-1 with Hbv-Associated Q151M Substitution in Rt Becomes Highly Susceptible to Entecavir: Structural Insights Into Hbv-Rt Inhibition By Entecavir. Sci Rep V. 8 1624 2018.
ISSN: ESSN 2045-2322
PubMed: 29374261
DOI: 10.1038/S41598-018-19602-9