Manganese 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:

Magnesium	(Mg)	3 atoms
Iodine	(I)	12 atoms

The binding sites of Manganese 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 Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp, PDB code: 7oiw:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of S. Aureus Rel Catalytic Domains in Complex with Pppgpp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn 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:Mn505 b:69.1 occ:1.00 NE2 A:HIS60 2.2 64.9 1.0 OD1 A:ASP151 2.2 77.0 1.0 NE2 A:HIS84 2.3 66.7 1.0 O A:HOH616 2.5 64.4 1.0 OD2 A:ASP85 2.9 77.4 1.0 CD2 A:HIS60 3.0 71.2 1.0 CD2 A:HIS84 3.1 70.2 1.0 CG A:ASP151 3.1 68.0 1.0 CE1 A:HIS60 3.3 63.1 1.0 OD1 A:ASP85 3.3 90.4 1.0 CE1 A:HIS84 3.4 70.0 1.0 CG A:ASP85 3.4 87.4 1.0 OD2 A:ASP151 3.5 76.8 1.0 CG A:HIS60 4.2 65.5 1.0 CG A:HIS84 4.3 67.9 1.0 CB A:ASP151 4.3 57.1 1.0 ND1 A:HIS60 4.3 57.8 1.0 ND1 A:HIS84 4.4 67.5 1.0 CB A:ASP85 4.7 80.9 1.0 O2' A:C1Z501 4.9 108.4 1.0

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


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn 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 B:Mn503 b:80.9 occ:1.00 OD1 B:ASP151 1.9 77.1 1.0 NE2 B:HIS60 2.1 57.1 1.0 NE2 B:HIS84 2.7 69.5 1.0 CG B:ASP151 2.9 65.4 1.0 OD2 B:ASP85 3.0 81.2 1.0 CD2 B:HIS60 3.0 58.9 1.0 CE1 B:HIS60 3.1 53.5 1.0 OD2 B:ASP151 3.3 79.9 1.0 CD2 B:HIS84 3.5 68.4 1.0 CG B:ASP85 3.7 81.3 1.0 CE1 B:HIS84 3.7 74.4 1.0 OD1 B:ASP85 3.8 81.4 1.0 O1C B:C1Z501 3.8 81.5 0.7 O2' B:C1Z501 4.0 80.3 1.0 ND1 B:HIS60 4.1 48.5 1.0 CG B:HIS60 4.1 49.8 1.0 CB B:ASP151 4.3 52.9 1.0 ND2 B:ASN155 4.3 67.7 1.0 OD1 B:ASN155 4.6 58.8 1.0 CG B:HIS84 4.7 65.5 1.0 ND1 B:HIS84 4.8 98.5 1.0 NH2 B:ARG51 4.8 58.1 1.0 C2' B:C1Z501 4.8 75.5 1.0 CG B:ASN155 4.9 58.9 1.0 CA B:ASP151 5.0 52.2 1.0 PC B:C1Z501 5.0 97.3 0.7 CB B:ASP85 5.0 81.5 1.0

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