Magnesium in PDB 1dbr: Hypoxanthine Guanine Xanthine

The structure of Hypoxanthine Guanine Xanthine, PDB code: 1dbr was solved by M.A.Schumacher, D.Carter, D.Roos, B.Ullman, R.G.Brennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.150, 109.220, 79.740, 90.00, 111.80, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Magnesium atom in the Hypoxanthine Guanine Xanthine (pdb code 1dbr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Hypoxanthine Guanine Xanthine, PDB code: 1dbr:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Hypoxanthine Guanine Xanthine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Hypoxanthine Guanine Xanthine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg232 b:36.1 occ:1.00 OE1 A:GLU146 2.7 35.3 1.0 O A:HOH323 2.7 30.2 1.0 OD1 A:ASP147 2.8 35.4 1.0 O A:ILE148 3.4 22.3 1.0 O A:HOH239 3.4 32.8 1.0 CD A:GLU146 3.6 48.0 1.0 CG A:ASP147 3.7 39.9 1.0 OD2 A:ASP147 3.7 48.1 1.0 OE2 A:GLU146 3.8 39.0 1.0 CG2 A:ILE148 4.3 25.1 1.0 C A:ILE148 4.5 26.8 1.0 N A:ILE148 4.6 19.7 1.0 N A:ASP147 5.0 21.0 1.0

Magnesium binding site 2 out of 4 in the Hypoxanthine Guanine Xanthine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Hypoxanthine Guanine Xanthine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg232 b:31.3 occ:1.00 OE1 B:GLU146 2.2 2.8 1.0 OD1 B:ASP147 2.5 25.9 1.0 CD B:GLU146 3.2 26.2 1.0 CG B:ASP147 3.5 28.7 1.0 OE2 B:GLU146 3.6 21.4 1.0 OD2 B:ASP147 3.8 34.4 1.0 N B:ASP147 4.2 14.9 1.0 CA B:GLY80 4.4 13.1 1.0 O B:ILE148 4.4 19.1 1.0 CG B:GLU146 4.5 20.2 1.0 N B:SER81 4.5 17.4 1.0 C B:GLY80 4.6 20.2 1.0 O B:HOH300 4.7 90.4 1.0 CG2 B:ILE77 4.7 18.6 1.0 O B:ILE77 4.7 25.8 1.0 CB B:GLU146 4.7 13.6 1.0 CA B:GLU146 4.7 10.5 1.0 CB B:ILE77 4.7 16.6 1.0 N B:ILE148 4.8 25.9 1.0 CB B:ASP147 4.8 12.9 1.0 CB B:SER81 4.8 22.0 1.0

Magnesium binding site 3 out of 4 in the Hypoxanthine Guanine Xanthine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Hypoxanthine Guanine Xanthine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg232 b:63.7 occ:1.00 OD1 C:ASP147 2.7 56.6 1.0 OE1 C:GLU146 3.1 58.7 1.0 CG C:ASP147 3.5 54.1 1.0 OD2 C:ASP147 3.7 65.1 1.0 CA C:GLY80 3.9 53.5 1.0 O C:HOH233 3.9 100.0 1.0 CD C:GLU146 4.0 50.6 1.0 OE2 C:GLU146 4.2 48.5 1.0 C C:GLY80 4.2 60.8 1.0 OG C:SER81 4.3 65.4 1.0 O C:GLY80 4.5 59.1 1.0 N C:GLY80 4.5 53.2 1.0 CG2 C:ILE77 4.8 28.9 1.0 N C:SER81 4.8 60.3 1.0 CB C:ASP147 4.9 23.4 1.0 O C:ILE77 4.9 35.4 1.0 N C:ASP147 4.9 20.3 1.0

Magnesium binding site 4 out of 4 in the Hypoxanthine Guanine Xanthine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Hypoxanthine Guanine Xanthine within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg232 b:76.3 occ:1.00 OE1 D:GLU146 2.0 57.0 1.0 OD1 D:ASP147 2.5 79.2 1.0 CD D:GLU146 2.6 63.8 1.0 OE2 D:GLU146 2.7 64.8 1.0 CG D:ASP147 3.6 53.4 1.0 OD2 D:ASP147 3.8 57.3 1.0 O D:ILE148 3.9 24.9 1.0 CG D:GLU146 3.9 37.0 1.0 CB D:GLU146 4.3 31.1 1.0 OG D:SER81 4.4 23.6 1.0 N D:ASP147 4.4 23.7 1.0 CG2 D:ILE77 4.5 39.3 1.0 N D:ILE148 4.8 23.6 1.0 CB D:ILE77 4.8 40.6 1.0 CA D:GLU146 4.8 29.4 1.0 CB D:ASP147 4.9 23.9 1.0

M.A.Schumacher, D.Carter, D.S.Ross, B.Ullman, R.G.Brennan. Crystal Structures of Toxoplasma Gondii Hgxprtase Reveal the Catalytic Role of A Long Flexible Loop. Nat.Struct.Biol. V. 3 881 1996.
ISSN: ISSN 1072-8368
PubMed: 8836106
DOI: 10.1038/NSB1096-881