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Magnesium in PDB 8vuf: Crystal Structure of GH9 (K101P, K103N, V108I) Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5I3

Enzymatic activity of Crystal Structure of GH9 (K101P, K103N, V108I) Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5I3

All present enzymatic activity of Crystal Structure of GH9 (K101P, K103N, V108I) Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5I3:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13;

Protein crystallography data

The structure of Crystal Structure of GH9 (K101P, K103N, V108I) Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5I3, PDB code: 8vuf was solved by S.Rumrill, F.X.Ruiz, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.82 / 2.36
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 163.074, 72.794, 109.138, 90, 100.25, 90
R / Rfree (%) 20.5 / 24.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of GH9 (K101P, K103N, V108I) Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5I3 (pdb code 8vuf). 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 Crystal Structure of GH9 (K101P, K103N, V108I) Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5I3, PDB code: 8vuf:

Magnesium binding site 1 out of 1 in 8vuf

Go back to Magnesium Binding Sites List in 8vuf
Magnesium binding site 1 out of 1 in the Crystal Structure of GH9 (K101P, K103N, V108I) Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5I3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of GH9 (K101P, K103N, V108I) Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5I3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg708

b:70.1
occ:1.00
O A:HOH863 2.2 68.0 1.0
OD2 A:ASP443 2.5 64.5 1.0
OD1 A:ASP443 2.5 52.3 1.0
O A:HOH842 2.6 58.6 1.0
CG A:ASP443 2.9 51.9 1.0
OD1 A:ASP549 3.1 71.2 1.0
OD2 A:ASP498 3.6 55.7 1.0
O A:GLY444 3.8 49.6 1.0
O A:HOH829 3.8 57.2 1.0
OD1 A:ASP498 3.9 50.7 1.0
CG A:ASP498 4.2 45.5 1.0
CG A:ASP549 4.2 75.7 1.0
CB A:ASP443 4.4 46.3 1.0
CB A:ASP549 4.6 71.7 1.0
O A:HOH858 4.7 67.2 1.0
N A:GLY444 4.9 48.6 1.0
C A:GLY444 4.9 43.1 1.0
NE2 A:HIS539 5.0 87.2 1.0
O A:HOH877 5.0 43.9 1.0

Reference:

Z.Wang, S.R.Rumrill, D.Kang, S.Desta, D.Feng, E.De Clercq, C.Pannecouque, C.H.Chen, E.Arnold, F.X.Ruiz, X.Liu, P.Zhan. Development of Enhanced Hiv-1 Non-Nucleoside Reverse Transcriptase Inhibitors with Improved Resistance and Pharmacokinetic Profiles To Be Published.
Page generated: Fri Aug 15 18:05:48 2025

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