Manganese in PDB 1xuq: Crystal Structure of Soda-1 (BA4499) From Bacillus Anthracis at 1.8A Resolution.

All present enzymatic activity of Crystal Structure of Soda-1 (BA4499) From Bacillus Anthracis at 1.8A Resolution.:
1.15.1.1;

The structure of Crystal Structure of Soda-1 (BA4499) From Bacillus Anthracis at 1.8A Resolution., PDB code: 1xuq 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)	31.45 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.881, 60.439, 61.981, 90.00, 106.30, 90.00
R / Rfree (%)	16.9 / 22.8

The binding sites of Manganese atom in the Crystal Structure of Soda-1 (BA4499) From Bacillus Anthracis at 1.8A Resolution. (pdb code 1xuq). 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-1 (BA4499) From Bacillus Anthracis at 1.8A Resolution., PDB code: 1xuq:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Soda-1 (BA4499) 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-1 (BA4499) From Bacillus Anthracis at 1.8A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:14.9 occ:1.00 OD2 A:ASP165 1.9 18.2 1.0 NE2 A:HIS28 2.0 10.9 1.0 NE2 A:HIS169 2.1 16.5 1.0 NE2 A:HIS83 2.1 19.3 1.0 O A:HOH206 2.2 16.7 1.0 O A:HOH365 2.2 39.7 1.0 CE1 A:HIS28 3.0 16.9 1.0 CE1 A:HIS83 3.0 18.7 1.0 CG A:ASP165 3.0 15.6 1.0 CD2 A:HIS28 3.1 17.6 1.0 CE1 A:HIS169 3.1 19.4 1.0 CD2 A:HIS169 3.1 16.3 1.0 CD2 A:HIS83 3.2 17.5 1.0 OD1 A:ASP165 3.5 17.5 1.0 ND1 A:HIS28 4.1 16.9 1.0 CG A:HIS28 4.2 13.8 1.0 ND1 A:HIS83 4.2 18.5 1.0 ND1 A:HIS169 4.2 20.4 1.0 CG A:HIS169 4.2 18.3 1.0 CG A:HIS83 4.3 19.9 1.0 CB A:ASP165 4.3 17.5 1.0 NE2 A:GLN150 4.6 19.3 1.0 CB A:TRP167 4.7 17.8 1.0 CZ2 A:TRP132 4.7 20.0 1.0 CG A:TRP167 4.8 18.6 1.0 CB A:ALA170 4.9 18.7 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Soda-1 (BA4499) 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-1 (BA4499) From Bacillus Anthracis at 1.8A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn204 b:18.1 occ:1.00 OD2 B:ASP165 1.9 22.6 1.0 NE2 B:HIS28 2.0 14.2 1.0 NE2 B:HIS83 2.0 28.8 1.0 O B:HOH206 2.1 17.5 1.0 NE2 B:HIS169 2.1 25.2 1.0 CE1 B:HIS83 3.0 22.1 1.0 CE1 B:HIS28 3.0 20.7 1.0 CE1 B:HIS169 3.0 21.9 1.0 CD2 B:HIS28 3.0 19.1 1.0 CG B:ASP165 3.1 18.0 1.0 CD2 B:HIS83 3.1 29.5 1.0 CD2 B:HIS169 3.1 18.4 1.0 OD1 B:ASP165 3.6 18.9 1.0 ND1 B:HIS28 4.1 16.9 1.0 ND1 B:HIS83 4.1 21.7 1.0 ND1 B:HIS169 4.2 22.0 1.0 CG B:HIS28 4.2 19.1 1.0 CG B:HIS83 4.2 29.9 1.0 CG B:HIS169 4.2 22.0 1.0 CB B:ASP165 4.3 20.7 1.0 CZ2 B:TRP132 4.6 28.4 1.0 NE2 B:GLN150 4.7 25.3 1.0 CB B:TRP167 4.8 18.1 1.0 CG B:TRP167 4.9 18.4 1.0 CB B:ALA170 5.0 20.1 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