Magnesium in PDB 4idk: Hiv-1 Reverse Transcriptase with Bound Fragment at the 428 Site

All present enzymatic activity of Hiv-1 Reverse Transcriptase with Bound Fragment at the 428 Site:
2.7.7.49; 2.7.7.7; 3.1.26.13;

The structure of Hiv-1 Reverse Transcriptase with Bound Fragment at the 428 Site, PDB code: 4idk was solved by J.D.Bauman, D.Patel, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.93 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.875, 73.072, 108.965, 90.00, 100.48, 90.00
R / Rfree (%)	18.2 / 22.5

The binding sites of Magnesium atom in the Hiv-1 Reverse Transcriptase with Bound Fragment at the 428 Site (pdb code 4idk). 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 Hiv-1 Reverse Transcriptase with Bound Fragment at the 428 Site, PDB code: 4idk:

Magnesium binding site 1 out of 1 in the Hiv-1 Reverse Transcriptase with Bound Fragment at the 428 Site


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 with Bound Fragment at the 428 Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:42.4 occ:1.00 O A:HOH1097 2.1 30.0 1.0 O A:HOH1061 2.1 41.7 1.0 O A:HOH1060 2.1 50.4 1.0 O A:HOH1096 2.1 35.0 1.0 OD1 A:ASP549 2.1 38.2 1.0 OD2 A:ASP443 2.2 41.1 1.0 CG A:ASP443 3.0 29.4 1.0 OD1 A:ASP443 3.1 27.5 1.0 CG A:ASP549 3.2 40.6 1.0 OD2 A:ASP498 3.3 24.9 1.0 CB A:ASP549 3.6 43.9 1.0 O A:HOH809 4.2 30.9 1.0 CG A:ASP498 4.2 27.6 1.0 OD2 A:ASP549 4.3 35.6 1.0 OD1 A:ASP498 4.3 25.8 1.0 CA A:ASP549 4.3 47.6 1.0 CE1 A:HIS539 4.4 72.6 1.0 CB A:ASP443 4.5 26.7 1.0 O A:GLY444 4.6 32.2 1.0 O A:HOH1021 4.7 53.0 1.0 NE2 A:HIS539 4.9 72.5 1.0 O A:HOH914 4.9 31.1 1.0 CB A:ALA538 4.9 28.5 1.0

J.D.Bauman, D.Patel, C.Dharia, M.W.Fromer, S.Ahmed, Y.Frenkel, R.S.Vijayan, J.T.Eck, W.C.Ho, K.Das, A.J.Shatkin, E.Arnold. Detecting Allosteric Sites of Hiv-1 Reverse Transcriptase By X-Ray Crystallographic Fragment Screening. J.Med.Chem. V. 56 2738 2013.
ISSN: ISSN 0022-2623
PubMed: 23342998
DOI: 10.1021/JM301271J