Magnesium in PDB 7kwu: Crystal Structure of Hiv-1 Rt in Complex with 16C (K07-15)

All present enzymatic activity of Crystal Structure of Hiv-1 Rt in Complex with 16C (K07-15):
2.7.7.49;

The structure of Crystal Structure of Hiv-1 Rt in Complex with 16C (K07-15), PDB code: 7kwu was solved by F.X.Ruiz, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.54 / 2.02
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	163.379, 72.622, 109.723, 90, 100.21, 90
R / Rfree (%)	21.2 / 25.9

The binding sites of Magnesium atom in the Crystal Structure of Hiv-1 Rt in Complex with 16C (K07-15) (pdb code 7kwu). 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 Hiv-1 Rt in Complex with 16C (K07-15), PDB code: 7kwu:

Magnesium binding site 1 out of 1 in the Crystal Structure of Hiv-1 Rt in Complex with 16C (K07-15)


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 Hiv-1 Rt in Complex with 16C (K07-15) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg607 b:64.7 occ:1.00 O A:HOH760 2.1 52.9 1.0 O A:HOH834 2.2 56.2 1.0 O A:HOH703 2.2 58.0 1.0 O A:HOH784 2.3 48.7 1.0 OD1 A:ASP549 2.4 88.2 1.0 OD2 A:ASP443 2.6 52.7 1.0 CG A:ASP549 3.2 86.3 1.0 OD1 A:ASP443 3.3 40.3 1.0 CG A:ASP443 3.3 38.4 1.0 OD2 A:ASP498 3.7 36.7 1.0 CB A:ASP549 3.8 78.8 1.0 O A:HOH888 3.9 56.6 1.0 OD2 A:ASP549 4.1 78.5 1.0 NE2 A:HIS539 4.4 66.8 1.0 O A:HOH820 4.4 53.2 1.0 O A:GLY444 4.4 27.7 1.0 CA A:ASP549 4.5 72.5 1.0 OD1 A:ASP498 4.5 32.2 1.0 CG A:ASP498 4.5 30.6 1.0 O A:HOH1023 4.6 54.0 1.0 CB A:ASP443 4.8 25.4 1.0 CE1 A:HIS539 4.9 58.3 1.0 CB A:ALA538 5.0 35.7 1.0 CD2 A:HIS539 5.0 50.7 1.0 O A:ASP549 5.0 62.0 1.0

D.Kang, F.X.Ruiz, Y.Sun, D.Feng, L.Jing, Z.Wang, T.Zhang, S.Gao, L.Sun, E.De Clercq, C.Pannecouque, E.Arnold, P.Zhan, X.Liu. 2,4,5-Trisubstituted Pyrimidines As Potent Hiv-1 Nnrtis: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 33734714
DOI: 10.1021/ACS.JMEDCHEM.1C00268