Manganese in PDB 1xre: Crystal Structure of Soda-2 (BA5696) From Bacillus Anthracis at 1.8A Resolution.

All present enzymatic activity of Crystal Structure of Soda-2 (BA5696) From Bacillus Anthracis at 1.8A Resolution.:
1.15.1.1;

The structure of Crystal Structure of Soda-2 (BA5696) From Bacillus Anthracis at 1.8A Resolution., PDB code: 1xre was solved by I.W.Boucher, V.M.Levdikov, E.V.Blagova, M.J.Fogg, J.A.Brannigan, A.J.Wilkinson, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.09 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.842, 69.866, 56.574, 90.00, 106.85, 90.00
R / Rfree (%)	15.9 / 21.9

The binding sites of Manganese atom in the Crystal Structure of Soda-2 (BA5696) From Bacillus Anthracis at 1.8A Resolution. (pdb code 1xre). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Soda-2 (BA5696) From Bacillus Anthracis at 1.8A Resolution., PDB code: 1xre:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Soda-2 (BA5696) From Bacillus Anthracis at 1.8A Resolution.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Soda-2 (BA5696) From Bacillus Anthracis at 1.8A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn209 b:18.7 occ:1.00 OD2 A:ASP165 1.9 22.5 1.0 NE2 A:HIS83 2.0 21.4 1.0 NE2 A:HIS169 2.1 20.0 1.0 NE2 A:HIS28 2.1 19.3 1.0 O A:HOH388 2.2 18.0 1.0 CE1 A:HIS83 3.0 23.7 1.0 CD2 A:HIS83 3.0 21.4 1.0 CG A:ASP165 3.0 22.1 1.0 CE1 A:HIS28 3.1 18.3 1.0 CD2 A:HIS169 3.1 20.8 1.0 CE1 A:HIS169 3.1 22.4 1.0 CD2 A:HIS28 3.1 21.9 1.0 OD1 A:ASP165 3.5 20.1 1.0 OH A:TYR132 3.9 25.6 1.0 ND1 A:HIS83 4.1 20.8 1.0 CG A:HIS83 4.2 20.0 1.0 ND1 A:HIS28 4.2 19.7 1.0 ND1 A:HIS169 4.2 21.4 1.0 CG A:HIS28 4.2 20.3 1.0 CG A:HIS169 4.2 21.2 1.0 CB A:ASP165 4.3 22.8 1.0 CB A:TRP167 4.6 18.6 1.0 CG A:TRP167 4.7 18.6 1.0 CZ A:TYR132 4.8 22.4 1.0 OE1 A:GLN150 4.9 21.3 1.0 CD1 A:TRP167 5.0 19.5 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Soda-2 (BA5696) From Bacillus Anthracis at 1.8A Resolution.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Soda-2 (BA5696) From Bacillus Anthracis at 1.8A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn209 b:20.3 occ:1.00 OD2 B:ASP165 1.9 21.4 1.0 NE2 B:HIS169 2.0 20.5 1.0 NE2 B:HIS83 2.1 18.9 1.0 NE2 B:HIS28 2.1 19.7 1.0 O B:HOH212 2.3 21.6 1.0 CD2 B:HIS83 3.0 20.4 1.0 CG B:ASP165 3.0 21.5 1.0 CD2 B:HIS169 3.0 22.2 1.0 CE1 B:HIS169 3.0 21.5 1.0 CE1 B:HIS28 3.0 18.3 1.0 CE1 B:HIS83 3.1 18.8 1.0 CD2 B:HIS28 3.1 20.2 1.0 OD1 B:ASP165 3.5 19.9 1.0 OH B:TYR132 4.0 22.9 1.0 CG B:HIS83 4.2 21.2 1.0 ND1 B:HIS169 4.2 18.5 1.0 ND1 B:HIS83 4.2 20.7 1.0 ND1 B:HIS28 4.2 20.7 1.0 CG B:HIS169 4.2 20.5 1.0 CG B:HIS28 4.2 21.3 1.0 CB B:ASP165 4.3 21.5 1.0 CB B:TRP167 4.6 18.9 1.0 CG B:TRP167 4.7 19.9 1.0 CZ B:TYR132 4.9 22.5 1.0 NE2 B:GLN150 4.9 20.7 1.0 CD1 B:TRP167 4.9 20.8 1.0

I.W.Boucher, A.K.Kalliomaa, V.M.Levdikov, E.V.Blagova, M.J.Fogg, J.A.Brannigan, K.S.Wilson, A.J.Wilkinson. Structures of Two Superoxide Dismutases From Bacillus Anthracis Reveal A Novel Active Centre. Acta Crystallogr.,Sect.F V. 61 621 2005.
ISSN: ESSN 1744-3091
PubMed: 16511113
DOI: 10.1107/S1744309105017380