Manganese in PDB 4oxr: Structure of Staphylococcus Pseudintermedius Metal-Binding Protein Sita in Complex with Manganese

The structure of Structure of Staphylococcus Pseudintermedius Metal-Binding Protein Sita in Complex with Manganese, PDB code: 4oxr was solved by F.Abate, E.Malito, M.Bottomley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.42 / 2.00
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.580, 57.490, 112.349, 90.00, 101.95, 90.00
R / Rfree (%)	18.3 / 23.3

The binding sites of Manganese atom in the Structure of Staphylococcus Pseudintermedius Metal-Binding Protein Sita in Complex with Manganese (pdb code 4oxr). 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 Staphylococcus Pseudintermedius Metal-Binding Protein Sita in Complex with Manganese, PDB code: 4oxr:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of Staphylococcus Pseudintermedius Metal-Binding Protein Sita in Complex with Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Staphylococcus Pseudintermedius Metal-Binding Protein Sita in Complex with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:5.9 occ:1.00 OD2 A:ASP278 2.2 8.4 1.0 NE2 A:HIS137 2.2 3.7 1.0 NE2 A:HIS64 2.2 6.2 1.0 OE1 A:GLU203 2.3 5.4 1.0 OE2 A:GLU203 2.3 6.3 1.0 OD1 A:ASP278 2.4 6.5 1.0 CG A:ASP278 2.6 7.7 1.0 CD A:GLU203 2.6 7.6 1.0 CD2 A:HIS64 3.1 7.7 1.0 CE1 A:HIS137 3.1 7.0 1.0 CD2 A:HIS137 3.2 8.1 1.0 CE1 A:HIS64 3.2 12.0 1.0 ND2 A:ASN224 3.9 10.9 1.0 O A:HOH562 4.1 12.7 1.0 CB A:ASP278 4.1 7.4 1.0 CG A:GLU203 4.1 4.8 1.0 CG A:ASN224 4.2 11.6 1.0 CG A:HIS64 4.3 12.2 1.0 ND1 A:HIS137 4.3 7.7 1.0 ND1 A:HIS64 4.3 7.5 1.0 CG A:HIS137 4.3 5.6 1.0 O A:HOH561 4.3 14.1 1.0 CB A:ALA205 4.6 6.5 1.0 OD1 A:ASN224 4.6 5.7 1.0 CD1 A:LEU89 4.7 11.1 1.0 CB A:ASN224 4.7 6.3 1.0 CB A:GLU203 4.9 6.0 1.0 N A:ASN224 5.0 5.6 1.0

Manganese binding site 2 out of 2 in the Structure of Staphylococcus Pseudintermedius Metal-Binding Protein Sita in Complex with Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Staphylococcus Pseudintermedius Metal-Binding Protein Sita in Complex with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:7.4 occ:1.00 OD2 B:ASP278 2.1 9.2 1.0 NE2 B:HIS137 2.2 9.9 1.0 NE2 B:HIS64 2.2 5.8 1.0 OE2 B:GLU203 2.4 6.3 1.0 OE1 B:GLU203 2.4 11.4 1.0 OD1 B:ASP278 2.4 10.6 1.0 CG B:ASP278 2.6 9.6 1.0 CD B:GLU203 2.7 10.4 1.0 CE1 B:HIS137 3.1 12.6 1.0 CE1 B:HIS64 3.1 10.8 1.0 CD2 B:HIS64 3.2 6.5 1.0 CD2 B:HIS137 3.2 8.9 1.0 ND2 B:ASN224 4.0 8.7 1.0 CB B:ASP278 4.1 7.5 1.0 O B:HOH561 4.2 11.8 1.0 CG B:GLU203 4.2 8.9 1.0 ND1 B:HIS137 4.2 15.5 1.0 ND1 B:HIS64 4.3 6.1 1.0 CG B:ASN224 4.3 9.0 1.0 CG B:HIS64 4.3 8.6 1.0 CG B:HIS137 4.3 13.1 1.0 O B:HOH560 4.3 14.4 1.0 CD1 B:LEU89 4.7 10.0 1.0 OD1 B:ASN224 4.7 9.0 1.0 CB B:ALA205 4.7 11.5 1.0 CB B:ASN224 4.9 11.2 1.0 CA B:ASP278 5.0 7.2 1.0

F.Abate, E.Malito, R.Cozzi, P.Lo Surdo, D.Maione, M.J.Bottomley. Apo, ZN2+-Bound and MN2+-Bound Structures Reveal Ligand Binding Properties of Sita From the Pathogen Staphylococcus Pseudintermedius. Biosci.Rep. 2014.
ISSN: ISSN 0144-8463
PubMed: 25311310
DOI: 10.1042/BSR20140088