Manganese in PDB 6pro: Mnsod From Geobacillus Stearothermophilus

All present enzymatic activity of Mnsod From Geobacillus Stearothermophilus:
1.15.1.1;

The structure of Mnsod From Geobacillus Stearothermophilus, PDB code: 6pro was solved by J.J.Adams, C.J.Morton, M.W.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.05 / 2.26
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	72.200, 111.100, 51.100, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 19.6

The binding sites of Manganese atom in the Mnsod From Geobacillus Stearothermophilus (pdb code 6pro). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Mnsod From Geobacillus Stearothermophilus, PDB code: 6pro:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Mnsod From Geobacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Mnsod From Geobacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:12.8 occ:0.83 OD2 A:ASP163 1.9 13.3 1.0 NE2 A:HIS26 2.0 18.2 1.0 NE2 A:HIS81 2.1 20.8 1.0 O A:HOH412 2.1 8.2 1.0 NE2 A:HIS167 2.1 18.3 1.0 CE1 A:HIS26 2.9 18.4 1.0 CE1 A:HIS81 3.0 22.3 1.0 CE1 A:HIS167 3.0 16.9 1.0 CG A:ASP163 3.1 14.6 1.0 CD2 A:HIS26 3.1 18.5 1.0 HE1 A:HIS26 3.1 22.2 1.0 HE1 A:HIS81 3.1 26.9 1.0 CD2 A:HIS81 3.1 21.1 1.0 HE1 A:HIS167 3.2 20.4 1.0 CD2 A:HIS167 3.2 18.9 1.0 HD2 A:HIS26 3.3 22.3 1.0 HD2 A:HIS81 3.4 25.4 1.0 HD2 A:HIS167 3.4 22.8 1.0 OD1 A:ASP163 3.6 12.3 1.0 HE22 A:GLN148 3.7 27.3 1.0 HB2 A:TRP165 3.7 16.9 1.0 HZ2 A:TRP130 3.8 22.9 1.0 HB2 A:ALA168 4.1 15.1 1.0 ND1 A:HIS26 4.1 18.1 1.0 ND1 A:HIS81 4.1 22.0 1.0 CG A:HIS26 4.2 18.4 1.0 ND1 A:HIS167 4.2 17.5 1.0 CG A:HIS81 4.2 20.1 1.0 CB A:ASP163 4.3 13.4 1.0 CG A:HIS167 4.3 18.6 1.0 HB2 A:ASP163 4.3 16.1 1.0 CZ2 A:TRP130 4.4 19.0 1.0 HE2 A:TYR34 4.4 26.3 1.0 HB3 A:ASP163 4.4 16.1 1.0 NE2 A:GLN148 4.5 22.6 1.0 HB3 A:HIS30 4.5 21.9 1.0 CB A:TRP165 4.6 14.0 1.0 CG A:TRP165 4.8 18.6 1.0 HE21 A:GLN148 4.8 27.3 1.0 HB3 A:TRP165 4.8 16.9 1.0 HH A:TYR34 4.8 32.3 1.0 HH2 A:TRP130 4.8 16.7 1.0 HD1 A:HIS26 4.9 21.9 1.0 HD1 A:HIS81 4.9 26.5 1.0 HD1 A:HIS167 4.9 21.2 1.0 CH2 A:TRP130 5.0 13.8 1.0

Manganese binding site 2 out of 2 in the Mnsod From Geobacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Mnsod From Geobacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:9.8 occ:0.87 NE2 B:HIS26 2.0 22.3 1.0 OD2 B:ASP163 2.0 18.4 1.0 NE2 B:HIS167 2.2 19.6 1.0 NE2 B:HIS81 2.2 18.0 1.0 O B:HOH426 2.3 14.6 1.0 CE1 B:HIS26 2.9 22.1 1.0 HE1 B:HIS26 3.0 26.7 1.0 CD2 B:HIS26 3.1 21.2 1.0 CD2 B:HIS81 3.1 18.6 1.0 CE1 B:HIS167 3.1 17.7 1.0 CG B:ASP163 3.2 18.2 1.0 CE1 B:HIS81 3.2 18.5 1.0 CD2 B:HIS167 3.2 19.0 1.0 HE1 B:HIS167 3.3 21.3 1.0 HD2 B:HIS81 3.3 22.4 1.0 HD2 B:HIS26 3.3 25.6 1.0 HE1 B:HIS81 3.4 22.3 1.0 HD2 B:HIS167 3.4 22.9 1.0 OD1 B:ASP163 3.6 14.7 1.0 HE22 B:GLN148 3.8 24.9 1.0 HB2 B:TRP165 3.8 21.6 1.0 HZ2 B:TRP130 3.9 27.7 1.0 ND1 B:HIS26 4.0 20.5 1.0 HB2 B:ALA168 4.1 21.4 1.0 CG B:HIS26 4.2 20.9 1.0 ND1 B:HIS81 4.3 18.9 1.0 ND1 B:HIS167 4.3 16.6 1.0 CG B:HIS81 4.3 17.7 1.0 HE2 B:TYR34 4.3 30.5 1.0 CG B:HIS167 4.3 16.9 1.0 CB B:ASP163 4.4 17.8 1.0 CZ2 B:TRP130 4.5 22.9 1.0 HB2 B:ASP163 4.5 21.5 1.0 HB3 B:HIS30 4.5 19.8 1.0 NE2 B:GLN148 4.5 20.7 1.0 HB3 B:ASP163 4.6 21.5 1.0 CB B:TRP165 4.7 17.9 1.0 HD1 B:HIS26 4.8 24.8 1.0 HE21 B:GLN148 4.8 24.9 1.0 CG B:TRP165 4.8 17.3 1.0 HH2 B:TRP130 4.9 28.3 1.0 HB3 B:TRP165 4.9 21.6 1.0

J.J.Adams, C.J.Morton, M.W.Parker. The Crystal Structure of the Manganese Superoxide Dismutase From Geobacillus Stearothermophilus: Parker and Blake (1988) Revisited Aust.J.Chem. V. 73 145 2020.
ISSN: ISSN 0004-9425
DOI: 10.1071/CH19346