Atomistry » Magnesium » PDB 8vn4-8vub » 8vub
Atomistry »
  Magnesium »
    PDB 8vn4-8vub »
      8vub »

Magnesium in PDB 8vub: Crystal Structure of Wild-Type Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5E2

Enzymatic activity of Crystal Structure of Wild-Type Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5E2

All present enzymatic activity of Crystal Structure of Wild-Type Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5E2:
2.7.7.49; 2.7.7.7; 3.1.26.13;

Protein crystallography data

The structure of Crystal Structure of Wild-Type Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5E2, PDB code: 8vub 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) 42.03 / 2.18
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 162.845, 72.523, 109.236, 90, 99.98, 90
R / Rfree (%) 19.9 / 24.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Wild-Type Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5E2 (pdb code 8vub). 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 Wild-Type Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5E2, PDB code: 8vub:

Magnesium binding site 1 out of 1 in 8vub

Go back to Magnesium Binding Sites List in 8vub
Magnesium binding site 1 out of 1 in the Crystal Structure of Wild-Type Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5E2


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 Wild-Type Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5E2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg608

b:75.1
occ:1.00
 O A:HOH716 2.1 62.9 1.0
O A:HOH969 2.1 109.8 1.0
O A:HOH906 2.1 72.9 1.0
O A:HOH707 2.3 72.8 1.0
OD1 A:ASP549 2.4 87.8 1.0
OD2 A:ASP443 2.7 71.9 1.0
OD1 A:ASP443 3.3 58.7 1.0
CG A:ASP443 3.4 58.3 1.0
CG A:ASP549 3.6 93.9 1.0
OD2 A:ASP498 3.6 53.2 1.0
O A:HOH769 4.3 73.0 1.0
CB A:ASP549 4.3 96.3 1.0
O A:GLY444 4.3 62.4 1.0
O A:HOH845 4.3 84.8 1.0
OD2 A:ASP549 4.5 95.2 1.0
NE2 A:HIS539 4.5 103.8 1.0
CG A:ASP498 4.5 48.5 1.0
OD1 A:ASP498 4.6 57.7 1.0
CE1 A:HIS539 4.7 89.3 1.0
CB A:ALA538 4.8 53.9 1.0
CA A:ASP549 4.8 94.2 1.0
CB A:ASP443 4.9 50.6 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. Diarylpyrimidine-Evolved Hiv-1 Non-Nucleoside Reverse Transcriptase Inhibitors Show Improved Resistance and Pharmacokinetic Profiles Against Highly Drug-Resistant Strains To Be Published.
Page generated: Fri Aug 15 17:49:27 2025

Last articles

Mg in 9BY7
Mg in 9BY3
Mg in 9BY2
Mg in 9BY1
Mg in 9BXZ
Mg in 9BY0
Mg in 9BXX
Mg in 9BXT
Mg in 9BXS
Mg in 9BX9
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy