Magnesium in PDB 3orq: Crystal Structure of N5-Carboxyaminoimidazole Synthetase From Staphylococcus Aureus Complexed with Adp

All present enzymatic activity of Crystal Structure of N5-Carboxyaminoimidazole Synthetase From Staphylococcus Aureus Complexed with Adp:
6.3.4.18;

The structure of Crystal Structure of N5-Carboxyaminoimidazole Synthetase From Staphylococcus Aureus Complexed with Adp, PDB code: 3orq was solved by P.Brugarolas, E.M.Duguid, W.Zhang, C.B.Poor, C.He, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.10 / 2.23
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.409, 53.453, 110.395, 90.00, 94.70, 90.00
R / Rfree (%)	17.1 / 21.6

The binding sites of Magnesium atom in the Crystal Structure of N5-Carboxyaminoimidazole Synthetase From Staphylococcus Aureus Complexed with Adp (pdb code 3orq). 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 N5-Carboxyaminoimidazole Synthetase From Staphylococcus Aureus Complexed with Adp, PDB code: 3orq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of N5-Carboxyaminoimidazole Synthetase From Staphylococcus Aureus Complexed with Adp


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 N5-Carboxyaminoimidazole Synthetase From Staphylococcus Aureus Complexed with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg375 b:46.4 occ:1.00 OE2 A:GLU267 2.2 29.5 1.0 O2A A:ADP376 2.3 66.4 1.0 OE1 A:GLU254 2.5 25.8 1.0 O2B A:ADP376 2.6 59.0 1.0 OE2 A:GLU254 2.8 24.0 1.0 CD A:GLU254 3.0 20.9 1.0 CD A:GLU267 3.3 30.5 1.0 PB A:ADP376 3.6 59.7 1.0 PA A:ADP376 3.6 65.6 1.0 O1B A:ADP376 3.8 61.3 1.0 OE1 A:GLU267 4.0 31.1 1.0 O3A A:ADP376 4.0 69.9 1.0 ND2 A:ASN266 4.2 17.9 1.0 C5' A:ADP376 4.3 59.7 1.0 CG A:GLU267 4.3 22.8 1.0 O5' A:ADP376 4.3 61.9 1.0 CG A:GLU254 4.5 14.1 1.0 NE2 A:HIS214 4.6 23.4 1.0 O3' A:ADP376 4.7 63.7 1.0 O1A A:ADP376 4.8 65.5 1.0 O3B A:ADP376 5.0 68.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of N5-Carboxyaminoimidazole Synthetase From Staphylococcus Aureus Complexed with Adp


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 N5-Carboxyaminoimidazole Synthetase From Staphylococcus Aureus Complexed with Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg376 b:69.1 occ:1.00 C3' B:ADP375 2.8 67.6 0.5 O3' B:ADP375 2.8 69.9 0.5 O1B B:ADP375 2.9 73.2 0.5 OE2 B:GLU191 2.9 15.1 1.0 C5' B:ADP375 3.3 69.2 0.5 O2B B:ADP375 3.4 76.7 0.5 C4' B:ADP375 3.5 68.2 0.5 OE1 B:GLU191 3.6 19.6 1.0 CD B:GLU191 3.6 14.4 1.0 PB B:ADP375 3.7 77.5 0.5 CE1 B:HIS214 3.7 6.0 1.0 ND1 B:HIS214 3.8 5.8 1.0 ND2 B:ASN266 3.9 12.7 1.0 O2A B:ADP375 3.9 76.5 0.5 NE2 B:HIS214 4.0 5.2 1.0 C2' B:ADP375 4.1 65.3 0.5 CG B:HIS214 4.1 7.1 1.0 CE1 B:PHE256 4.2 16.5 1.0 O B:HOH382 4.3 5.0 1.0 O5' B:ADP375 4.3 71.4 0.5 CD2 B:HIS214 4.3 5.8 1.0 O3A B:ADP375 4.4 76.8 0.5 PA B:ADP375 4.5 77.4 0.5 CZ B:PHE256 4.6 18.6 1.0 O4' B:ADP375 4.8 66.4 0.5 O2' B:ADP375 4.8 66.1 0.5 CB B:HIS214 5.0 6.4 1.0

P.Brugarolas, E.M.Duguid, W.Zhang, C.B.Poor, C.He. Structural and Biochemical Characterization of N5-Carboxyaminoimidazole Ribonucleotide Synthetase and N5-Carboxyaminoimidazole Ribonucleotide Mutase From Staphylococcus Aureus. Acta Crystallogr.,Sect.D V. 67 707 2011.
ISSN: ISSN 0907-4449
PubMed: 21795812
DOI: 10.1107/S0907444911023821