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Magnesium in PDB 8vum: Crystal Structure of GH9 (K101P, K103N, V108I) Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5E2

Enzymatic activity of Crystal Structure of GH9 (K101P, K103N, V108I) Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5E2

All present enzymatic activity of Crystal Structure of GH9 (K101P, K103N, V108I) Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5E2:
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 5E2, PDB code: 8vum 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) 48.48 / 2.15
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 162.22, 72.784, 108.799, 90, 99.73, 90
R / Rfree (%) 23.3 / 26.5

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 5E2 (pdb code 8vum). 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 5E2, PDB code: 8vum:

Magnesium binding site 1 out of 1 in 8vum

Go back to Magnesium Binding Sites List in 8vum
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 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 GH9 (K101P, K103N, V108I) Hiv-1 Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor 5E2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg708

b:70.1
occ:1.00
 O A:HOH887 2.1 49.8 1.0
O A:HOH1123 2.2 58.4 1.0
OD2 A:ASP443 2.4 70.3 1.0
OD1 A:ASP443 2.6 50.5 1.0
CG A:ASP443 2.8 56.9 1.0
OD1 A:ASP549 3.0 73.9 1.0
OD1 A:ASP498 3.3 51.9 1.0
OD2 A:ASP498 3.3 61.7 1.0
CG A:ASP498 3.6 44.1 1.0
CG A:ASP549 4.0 74.7 1.0
O A:GLY444 4.2 47.8 1.0
O A:HOH1072 4.3 47.2 1.0
CB A:ASP443 4.3 49.1 1.0
CB A:ALA538 4.5 55.9 1.0
CB A:ASP549 4.6 78.8 1.0
CE1 A:HIS539 4.6 88.8 1.0
O A:HOH940 4.9 44.9 1.0
N A:GLY444 4.9 50.1 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 18:05:49 2025

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