Magnesium in PDB 3q2o: Crystal Structure of Purk: N5-Carboxyaminoimidazole Ribonucleotide Synthetase

All present enzymatic activity of Crystal Structure of Purk: N5-Carboxyaminoimidazole Ribonucleotide Synthetase:
4.1.1.21;

The structure of Crystal Structure of Purk: N5-Carboxyaminoimidazole Ribonucleotide Synthetase, PDB code: 3q2o was solved by L.W.Fung, M.L.Tuntland, B.D.Santarsiero, M.E.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.430, 82.445, 166.621, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.5

The binding sites of Magnesium atom in the Crystal Structure of Purk: N5-Carboxyaminoimidazole Ribonucleotide Synthetase (pdb code 3q2o). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Purk: N5-Carboxyaminoimidazole Ribonucleotide Synthetase, PDB code: 3q2o:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Purk: N5-Carboxyaminoimidazole Ribonucleotide Synthetase


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 Purk: N5-Carboxyaminoimidazole Ribonucleotide Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg384 b:33.8 occ:1.00 O A:HOH415 1.9 24.4 1.0 O A:HOH416 2.1 24.3 1.0 O A:LEU269 2.1 18.3 1.0 O A:HOH505 2.1 37.7 1.0 O A:HOH423 2.2 25.4 1.0 C A:LEU269 3.2 18.6 1.0 CA A:ALA270 3.9 18.3 1.0 N A:ALA270 3.9 17.8 1.0 O A:HOH596 3.9 54.1 1.0 OE2 A:GLU268 4.1 30.1 1.0 CB A:ALA270 4.1 17.6 1.0 O A:HOH473 4.1 32.3 1.0 N A:LEU269 4.2 18.9 1.0 OE2 A:GLU110 4.2 26.5 1.0 OE2 A:GLU78 4.3 30.6 1.0 CA A:LEU269 4.3 18.4 1.0 O A:THR104 4.4 23.8 1.0 OE1 A:GLU78 4.5 30.7 1.0 CB A:GLU268 4.7 20.7 1.0 CD A:GLU268 4.8 27.4 1.0 CD A:GLU78 4.8 29.7 1.0 CG A:GLU268 4.9 23.6 1.0 CD A:PRO271 4.9 17.8 1.0 C A:GLU268 5.0 19.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Purk: N5-Carboxyaminoimidazole Ribonucleotide Synthetase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Purk: N5-Carboxyaminoimidazole Ribonucleotide Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg384 b:31.6 occ:1.00 O B:HOH495 2.0 43.6 1.0 O B:HOH474 2.1 40.2 1.0 O B:LEU269 2.3 24.2 1.0 O B:THR104 2.5 33.7 1.0 OE1 B:GLU110 2.5 32.2 1.0 CD B:GLU110 3.3 30.6 1.0 C B:LEU269 3.5 24.3 1.0 OE2 B:GLU110 3.5 34.5 1.0 C B:THR104 3.6 33.7 1.0 O B:HOH510 3.8 47.9 1.0 N B:LEU269 3.9 24.7 1.0 CB B:THR104 4.1 33.9 1.0 CA B:THR104 4.2 33.9 1.0 CA B:LEU269 4.2 24.4 1.0 OE2 B:GLU78 4.3 52.6 1.0 OE2 B:GLU268 4.4 38.3 1.0 CB B:GLU268 4.4 27.0 1.0 N B:ALA270 4.6 23.3 1.0 CG B:GLU110 4.6 29.7 1.0 CB B:LEU269 4.7 23.9 1.0 N B:GLN105 4.7 33.2 1.0 CA B:ALA270 4.8 23.4 1.0 OG1 B:THR104 4.9 34.2 1.0 C B:GLU268 4.9 25.5 1.0 OE1 B:GLU78 5.0 51.6 1.0

M.L.Tuntland, M.E.Johnson, L.W.Fung, B.D.Santarsiero. Structure of N(5)-Carboxyaminoimidazole Ribonucleotide Synthase (Purk) From Bacillus Anthracis. Acta Crystallogr.,Sect.D V. 67 870 2011.
ISSN: ISSN 0907-4449
PubMed: 21931218
DOI: 10.1107/S0907444911029210