Magnesium in PDB 7oiw: Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp

All present enzymatic activity of Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp:
2.7.6.5;

The structure of Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp, PDB code: 7oiw was solved by A.Garcia-Pino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.25 / 2.63
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.41, 132.54, 73.47, 90, 103.59, 90
R / Rfree (%)	21.5 / 26.1

The structure of Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Iodine	(I)	12 atoms

The binding sites of Magnesium atom in the Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp (pdb code 7oiw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp, PDB code: 7oiw:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg506 b:57.4 occ:1.00 O3D A:C1Z502 3.0 76.4 1.0 ND2 A:ASN188 3.2 37.2 1.0 O2D A:C1Z502 3.3 81.3 1.0 PD A:C1Z502 3.6 106.7 1.0 NH2 A:ARG276 3.8 71.0 1.0 CE1 A:HIS251 3.9 54.3 0.5 O1D A:C1Z502 4.0 85.7 1.0 O2' A:C1Z502 4.1 64.7 1.0 ND1 A:HIS251 4.2 52.0 0.5 CG A:ASN188 4.4 56.6 1.0 OE1 A:GLU344 4.6 56.2 1.0 C2' A:C1Z502 4.8 61.0 1.0 CZ A:ARG276 4.9 50.3 1.0 OD1 A:ASN188 4.9 59.8 1.0

Magnesium binding site 2 out of 3 in the Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg507 b:99.1 occ:1.00 O2B A:C1Z501 2.7 105.9 1.0 O2C A:C1Z501 3.1 99.6 1.0 O3A A:C1Z501 3.4 115.5 1.0 PB A:C1Z501 3.7 113.4 1.0 O3' A:C1Z501 3.8 116.0 1.0 O2A A:C1Z501 3.9 89.7 1.0 O1G A:C1Z501 3.9 134.3 1.0 PC A:C1Z501 4.1 128.0 1.0 C4' A:C1Z501 4.1 92.9 1.0 O2G A:C1Z501 4.1 115.7 1.0 C5' A:C1Z501 4.2 91.9 1.0 PA A:C1Z501 4.2 107.0 1.0 PG A:C1Z501 4.4 150.5 1.0 O3B A:C1Z501 4.4 119.0 1.0 C3' A:C1Z501 4.6 99.2 1.0 O5' A:C1Z501 4.6 103.2 1.0 O1C A:C1Z501 4.7 106.5 1.0 O1B A:C1Z501 4.9 108.2 1.0

Magnesium binding site 3 out of 3 in the Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg508 b:67.4 occ:1.00 O13 A:VF5503 2.4 70.1 0.6 O2 A:VF5503 3.4 95.5 1.0 P3 A:VF5503 3.4 69.4 0.6 N A:GLN312 3.4 55.8 1.0 O A:HOH609 3.5 67.6 1.0 CB A:GLN312 3.7 63.4 1.0 O11 A:VF5503 3.7 87.2 0.6 O14 A:VF5503 3.9 82.0 0.6 C5 A:VF5503 3.9 98.2 1.0 CB A:LYS311 4.0 60.2 1.0 CA A:GLN312 4.2 59.7 1.0 CA A:LYS311 4.3 62.2 1.0 C A:LYS311 4.4 58.6 1.0 CG A:LYS311 4.4 51.3 1.0 C7 A:VF5503 4.4 90.5 0.6 CD A:LYS311 4.4 57.5 1.0 P A:VF5503 4.7 136.4 1.0 O A:VF5503 4.7 96.1 1.0 C8 A:VF5503 4.7 85.6 0.6 O12 A:VF5503 4.7 58.5 0.6 C6 A:VF5503 4.8 99.2 1.0

A.Garcia-Pino, A.Garcia-Pino. N/A N/A.