Magnesium in PDB 5jsq: Trypanosome Brucei Hypoxanthine-Guanine Phosphoribosyltranferase in Complex with A 9-[7-(Phosphonoheptyl]Guanine

All present enzymatic activity of Trypanosome Brucei Hypoxanthine-Guanine Phosphoribosyltranferase in Complex with A 9-[7-(Phosphonoheptyl]Guanine:
2.4.2.8;

The structure of Trypanosome Brucei Hypoxanthine-Guanine Phosphoribosyltranferase in Complex with A 9-[7-(Phosphonoheptyl]Guanine, PDB code: 5jsq was solved by D.Teran, L.Guddat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.29 / 1.50
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	94.376, 108.787, 44.645, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 17.8

The binding sites of Magnesium atom in the Trypanosome Brucei Hypoxanthine-Guanine Phosphoribosyltranferase in Complex with A 9-[7-(Phosphonoheptyl]Guanine (pdb code 5jsq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Trypanosome Brucei Hypoxanthine-Guanine Phosphoribosyltranferase in Complex with A 9-[7-(Phosphonoheptyl]Guanine, PDB code: 5jsq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Trypanosome Brucei Hypoxanthine-Guanine Phosphoribosyltranferase in Complex with A 9-[7-(Phosphonoheptyl]Guanine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Trypanosome Brucei Hypoxanthine-Guanine Phosphoribosyltranferase in Complex with A 9-[7-(Phosphonoheptyl]Guanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:47.8 occ:1.00 O1 A:SO4306 2.4 24.7 0.5 NE2 A:GLN176 3.2 17.5 1.0 O A:HOH421 3.4 44.1 1.0 S A:SO4306 3.7 22.1 0.5 O2 A:SO4306 3.7 23.2 0.5 NH1 A:ARG179 3.8 11.7 1.0 CE A:LYS54 3.8 16.9 1.0 NZ A:LYS54 3.9 19.2 1.0 OE1 A:GLN176 4.0 13.8 1.0 CD A:GLN176 4.0 13.6 1.0 CB A:LYS54 4.4 13.4 1.0 CD A:LYS54 4.6 19.6 1.0 O4 A:SO4306 4.6 10.5 0.5 O3 A:SO4306 4.6 22.4 0.5 O A:HOH558 4.8 49.4 1.0

Magnesium binding site 2 out of 2 in the Trypanosome Brucei Hypoxanthine-Guanine Phosphoribosyltranferase in Complex with A 9-[7-(Phosphonoheptyl]Guanine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Trypanosome Brucei Hypoxanthine-Guanine Phosphoribosyltranferase in Complex with A 9-[7-(Phosphonoheptyl]Guanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg304 b:44.4 occ:1.00 O4 B:SO4305 2.2 21.8 0.5 O1 B:SO4305 3.3 21.8 0.5 S B:SO4305 3.3 21.6 0.5 NE2 B:GLN176 3.3 19.6 1.0 NH2 B:ARG179 3.7 12.7 1.0 CE B:LYS54 3.9 16.3 1.0 NZ B:LYS54 4.2 17.3 1.0 OE1 B:GLN176 4.2 15.5 1.0 CD B:GLN176 4.2 16.1 1.0 O2 B:SO4305 4.3 25.5 0.5 O3 B:SO4305 4.3 10.8 0.5 CB B:LYS54 4.4 13.8 1.0 CD B:LYS54 4.8 22.5 1.0 CZ B:ARG179 4.9 11.2 1.0 O B:HOH420 5.0 41.4 1.0

D.Teran, D.Hockova, M.Cesnek, A.Zikova, L.Naesens, D.T.Keough, L.W.Guddat. Crystal Structures and Inhibition of Trypanosoma Brucei Hypoxanthine-Guanine Phosphoribosyltransferase. Sci Rep V. 6 35894 2016.
ISSN: ESSN 2045-2322
PubMed: 27786284
DOI: 10.1038/SREP35894