Magnesium in PDB 1a96: Xprtase From E. Coli with Bound Cprpp and Xanthine

All present enzymatic activity of Xprtase From E. Coli with Bound Cprpp and Xanthine:
2.4.2.22;

The structure of Xprtase From E. Coli with Bound Cprpp and Xanthine, PDB code: 1a96 was solved by S.Vos, R.J.Parry, M.R.Burns, J.De Jersey, J.L.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	94.200, 94.200, 165.900, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 24.4

The binding sites of Magnesium atom in the Xprtase From E. Coli with Bound Cprpp and Xanthine (pdb code 1a96). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Xprtase From E. Coli with Bound Cprpp and Xanthine, PDB code: 1a96:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Xprtase From E. Coli with Bound Cprpp and Xanthine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Xprtase From E. Coli with Bound Cprpp and Xanthine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg308 b:57.1 occ:1.00 O B:HOH541 1.9 56.9 1.0 O3 B:PCP301 2.2 85.4 1.0 O B:HOH542 2.2 53.8 1.0 O2B B:PCP301 2.3 0.0 1.0 O1 B:PCP301 2.3 97.0 1.0 O2 B:PCP301 2.8 88.5 1.0 C3 B:PCP301 3.1 85.9 1.0 C2 B:PCP301 3.1 88.4 1.0 C1 B:PCP301 3.2 90.6 1.0 PA B:PCP301 3.3 0.0 1.0 PB B:PCP301 3.3 0.0 1.0 O2A B:PCP301 3.5 0.0 1.0 C5 B:PCP301 3.5 87.1 1.0 O3A B:PCP301 3.6 0.0 1.0 C4 B:PCP301 3.8 82.7 1.0 O1B B:PCP301 3.8 99.2 1.0 OD1 B:ASP88 3.9 16.6 1.0 N B:GLY38 3.9 14.3 1.0 O B:SER36 4.1 19.9 1.0 N B:ARG37 4.2 17.6 1.0 OD2 B:ASP88 4.2 18.2 1.0 CA B:GLY38 4.3 15.1 1.0 C B:SER36 4.5 19.1 1.0 CG B:ASP88 4.5 17.0 1.0 OD1 B:ASP89 4.5 18.6 1.0 O3B B:PCP301 4.6 0.0 1.0 O1A B:PCP301 4.6 0.0 1.0 CG1 B:VAL35 4.7 18.1 1.0 O B:VAL35 4.7 20.7 1.0

Magnesium binding site 2 out of 2 in the Xprtase From E. Coli with Bound Cprpp and Xanthine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Xprtase From E. Coli with Bound Cprpp and Xanthine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg307 b:57.9 occ:1.00 O C:HOH539 2.0 53.0 1.0 O3 C:PCP302 2.1 72.9 1.0 O C:HOH540 2.2 33.8 1.0 O1 C:PCP302 2.2 83.7 1.0 O2B C:PCP302 2.4 83.2 1.0 O2 C:PCP302 2.8 74.9 1.0 C3 C:PCP302 3.0 72.6 1.0 C2 C:PCP302 3.1 75.1 1.0 C1 C:PCP302 3.1 77.3 1.0 PA C:PCP302 3.3 88.1 1.0 C5 C:PCP302 3.4 73.9 1.0 PB C:PCP302 3.5 82.9 1.0 O2A C:PCP302 3.5 87.2 1.0 O3A C:PCP302 3.7 86.4 1.0 C4 C:PCP302 3.7 69.4 1.0 O1B C:PCP302 3.9 81.2 1.0 OD1 C:ASP88 4.0 19.8 1.0 N C:GLY38 4.0 17.5 1.0 OD1 C:ASP89 4.3 19.1 1.0 CA C:GLY38 4.3 17.7 1.0 O C:SER36 4.4 22.8 1.0 OD2 C:ASP88 4.4 25.1 1.0 N C:ARG37 4.4 20.9 1.0 O1A C:PCP302 4.6 88.1 1.0 CG C:ASP88 4.7 21.4 1.0 O3B C:PCP302 4.7 84.1 1.0 C C:SER36 4.7 21.5 1.0 O C:HOH467 4.9 46.6 1.0 O C:VAL35 5.0 21.8 1.0

S.Vos, R.J.Parry, M.R.Burns, J.De Jersey, J.L.Martin. Structures of Free and Complexed Forms of Escherichia Coli Xanthine-Guanine Phosphoribosyltransferase. J.Mol.Biol. V. 282 875 1998.
ISSN: ISSN 0022-2836
PubMed: 9743633
DOI: 10.1006/JMBI.1998.2051