Manganese in PDB 5a9g: Manganese Superoxide Dismutase From Sphingobacterium Sp. T2

All present enzymatic activity of Manganese Superoxide Dismutase From Sphingobacterium Sp. T2:
1.15.1.1;

The structure of Manganese Superoxide Dismutase From Sphingobacterium Sp. T2, PDB code: 5a9g was solved by G.M.M.Rashid, C.R.Taylor, Y.Liu, X.Zhang, D.Rea, V.Fulop, T.D.H.Bugg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.60 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.700, 58.940, 75.710, 90.00, 90.18, 90.00
R / Rfree (%)	13.761 / 15.663

The binding sites of Manganese atom in the Manganese Superoxide Dismutase From Sphingobacterium Sp. T2 (pdb code 5a9g). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Manganese Superoxide Dismutase From Sphingobacterium Sp. T2, PDB code: 5a9g:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Manganese Superoxide Dismutase From Sphingobacterium Sp. T2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Manganese Superoxide Dismutase From Sphingobacterium Sp. T2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:10.0 occ:1.00 OD2 A:ASP163 2.0 8.2 1.0 O A:HOH2186 2.1 8.8 1.0 NE2 A:HIS167 2.2 8.5 1.0 NE2 A:HIS26 2.2 6.9 1.0 NE2 A:HIS76 2.2 7.2 1.0 CG A:ASP163 3.1 7.1 1.0 CD2 A:HIS167 3.1 8.2 1.0 CE1 A:HIS26 3.1 6.6 1.0 CE1 A:HIS76 3.1 7.3 1.0 CE1 A:HIS167 3.2 8.8 1.0 CD2 A:HIS26 3.2 6.7 1.0 CD2 A:HIS76 3.2 6.8 1.0 OD1 A:ASP163 3.5 7.6 1.0 ND1 A:HIS26 4.2 6.6 1.0 ND1 A:HIS167 4.3 8.4 1.0 CG A:HIS167 4.3 7.9 1.0 CZ2 A:TRP125 4.3 6.7 1.0 ND1 A:HIS76 4.3 6.8 1.0 CG A:HIS26 4.3 6.8 1.0 CB A:ASP163 4.3 6.7 1.0 CG A:HIS76 4.4 6.7 1.0 NE2 A:GLN144 4.6 7.3 1.0 CB A:TRP165 4.6 6.0 1.0 CG A:TRP165 4.7 6.1 1.0 CD1 A:TRP165 5.0 6.1 1.0 CH2 A:TRP125 5.0 6.7 1.0

Manganese binding site 2 out of 2 in the Manganese Superoxide Dismutase From Sphingobacterium Sp. T2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Manganese Superoxide Dismutase From Sphingobacterium Sp. T2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:10.5 occ:1.00 OD2 B:ASP163 2.0 8.3 1.0 O B:HOH2164 2.1 8.6 1.0 NE2 B:HIS26 2.2 7.3 1.0 NE2 B:HIS167 2.2 8.6 1.0 NE2 B:HIS76 2.2 7.9 1.0 CG B:ASP163 3.0 8.1 1.0 CD2 B:HIS167 3.1 7.9 1.0 CE1 B:HIS76 3.1 7.7 1.0 CD2 B:HIS26 3.2 7.6 1.0 CE1 B:HIS26 3.2 7.5 1.0 CE1 B:HIS167 3.2 8.2 1.0 CD2 B:HIS76 3.2 7.1 1.0 OD1 B:ASP163 3.5 8.2 1.0 ND1 B:HIS26 4.2 7.7 1.0 CZ2 B:TRP125 4.3 6.7 1.0 ND1 B:HIS76 4.3 7.6 1.0 CG B:HIS26 4.3 7.3 1.0 CB B:ASP163 4.3 7.6 1.0 CG B:HIS167 4.3 7.5 1.0 ND1 B:HIS167 4.3 8.2 1.0 CG B:HIS76 4.4 7.3 1.0 NE2 B:GLN144 4.6 7.4 1.0 CB B:TRP165 4.6 6.2 1.0 CG B:TRP165 4.7 6.0 1.0 CH2 B:TRP125 4.9 7.0 1.0 CD1 B:TRP165 5.0 6.2 1.0

G.M.Rashid, C.R.Taylor, Y.Liu, X.Zhang, D.Rea, V.Fulop, T.D.H.Bugg. Identification of Manganese Superoxide Dismutase From Sphingobacterium Sp. T2 As A Novel Bacterial Enzyme For Lignin Oxidation. Acs Chem.Biol. V. 10 2286 2015.
ISSN: ISSN 1554-8929
PubMed: 26198187
DOI: 10.1021/ACSCHEMBIO.5B00298