Manganese in PDB 3lsu: Crystal Structure of SOD2 From Saccharomyces Cerevisiae

All present enzymatic activity of Crystal Structure of SOD2 From Saccharomyces Cerevisiae:
1.15.1.1;

The structure of Crystal Structure of SOD2 From Saccharomyces Cerevisiae, PDB code: 3lsu was solved by Y.Sheng, D.Cascio, J.S.Valentine, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.38 / 1.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	63.657, 64.933, 66.550, 109.36, 106.35, 109.68
R / Rfree (%)	16.2 / 19.5

The structure of Crystal Structure of SOD2 From Saccharomyces Cerevisiae also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Manganese atom in the Crystal Structure of SOD2 From Saccharomyces Cerevisiae (pdb code 3lsu). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of SOD2 From Saccharomyces Cerevisiae, PDB code: 3lsu:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of SOD2 From Saccharomyces Cerevisiae


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 SOD2 From Saccharomyces Cerevisiae within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn208 b:19.3 occ:1.00 OD2 A:ASP168 2.0 18.4 1.0 NE2 A:HIS81 2.2 19.1 1.0 NE2 A:HIS172 2.2 19.0 1.0 NE2 A:HIS26 2.3 19.4 1.0 O A:HOH211 2.4 18.6 1.0 CD2 A:HIS81 3.1 19.8 1.0 CG A:ASP168 3.1 20.3 1.0 CE1 A:HIS172 3.2 19.1 1.0 CD2 A:HIS172 3.2 17.9 1.0 CE1 A:HIS81 3.2 21.0 1.0 CE1 A:HIS26 3.2 20.2 1.0 CD2 A:HIS26 3.3 16.3 1.0 OD1 A:ASP168 3.6 19.9 1.0 ND1 A:HIS81 4.3 19.1 1.0 CG A:HIS81 4.3 22.4 1.0 ND1 A:HIS172 4.3 19.0 1.0 CG A:HIS172 4.3 17.8 1.0 ND1 A:HIS26 4.3 18.1 1.0 CB A:ASP168 4.4 16.2 1.0 CZ2 A:TRP133 4.4 19.3 1.0 CG A:HIS26 4.4 16.2 1.0 CB A:TRP170 4.5 17.1 1.0 CH2 A:TRP133 4.7 20.4 1.0 CG A:TRP170 4.7 19.3 1.0 NE2 A:GLN154 4.8 17.1 1.0 CB A:ALA173 5.0 18.0 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of SOD2 From Saccharomyces Cerevisiae


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 SOD2 From Saccharomyces Cerevisiae within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn208 b:18.4 occ:1.00 OD2 B:ASP168 2.0 18.8 1.0 NE2 B:HIS26 2.2 15.4 1.0 NE2 B:HIS81 2.2 20.4 1.0 NE2 B:HIS172 2.2 16.9 1.0 O B:HOH214 2.3 19.0 1.0 CG B:ASP168 3.1 20.9 1.0 CE1 B:HIS26 3.1 16.9 1.0 CD2 B:HIS81 3.1 18.1 1.0 CD2 B:HIS172 3.2 16.3 1.0 CD2 B:HIS26 3.2 15.9 1.0 CE1 B:HIS81 3.2 17.4 1.0 CE1 B:HIS172 3.2 20.9 1.0 OD1 B:ASP168 3.5 18.4 1.0 ND1 B:HIS26 4.3 16.0 1.0 CZ2 B:TRP133 4.3 16.2 1.0 CG B:HIS26 4.3 18.0 1.0 ND1 B:HIS81 4.3 18.4 1.0 CG B:HIS81 4.3 19.9 1.0 CG B:HIS172 4.3 16.0 1.0 ND1 B:HIS172 4.3 17.2 1.0 CB B:ASP168 4.4 16.8 1.0 CB B:TRP170 4.5 18.0 1.0 CH2 B:TRP133 4.6 17.2 1.0 CG B:TRP170 4.7 18.0 1.0 NE2 B:GLN154 4.8 18.7 1.0 CB B:ALA173 4.9 17.4 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of SOD2 From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of SOD2 From Saccharomyces Cerevisiae within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn208 b:19.6 occ:1.00 OD2 C:ASP168 2.0 19.5 1.0 NE2 C:HIS26 2.2 17.8 1.0 NE2 C:HIS172 2.2 20.7 1.0 NE2 C:HIS81 2.2 18.1 1.0 O C:HOH212 2.3 18.9 1.0 CG C:ASP168 3.1 18.3 1.0 CE1 C:HIS26 3.2 18.6 1.0 CD2 C:HIS172 3.2 18.4 1.0 CD2 C:HIS26 3.2 14.6 1.0 CD2 C:HIS81 3.2 20.6 1.0 CE1 C:HIS81 3.2 18.3 1.0 CE1 C:HIS172 3.2 20.7 1.0 OD1 C:ASP168 3.5 15.1 1.0 ND1 C:HIS26 4.3 17.9 1.0 ND1 C:HIS172 4.3 18.0 1.0 ND1 C:HIS81 4.3 16.8 1.0 CG C:HIS172 4.3 18.0 1.0 CG C:HIS26 4.3 19.4 1.0 CB C:ASP168 4.4 16.9 1.0 CG C:HIS81 4.4 20.5 1.0 CZ2 C:TRP133 4.4 18.4 1.0 CB C:TRP170 4.5 18.1 1.0 CG C:TRP170 4.7 19.6 1.0 CH2 C:TRP133 4.7 19.4 1.0 NE2 C:GLN154 4.8 17.4 1.0 CB C:ALA173 5.0 20.1 1.0 CD1 C:TRP170 5.0 16.7 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of SOD2 From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of SOD2 From Saccharomyces Cerevisiae within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn208 b:18.8 occ:1.00 OD2 D:ASP168 2.1 19.0 1.0 NE2 D:HIS172 2.2 19.5 1.0 NE2 D:HIS81 2.2 19.4 1.0 O D:HOH214 2.3 17.2 1.0 NE2 D:HIS26 2.3 17.9 1.0 CG D:ASP168 3.1 17.6 1.0 CD2 D:HIS172 3.2 17.8 1.0 CD2 D:HIS81 3.2 19.4 1.0 CE1 D:HIS172 3.2 21.8 1.0 CE1 D:HIS81 3.2 20.7 1.0 CD2 D:HIS26 3.2 19.7 1.0 CE1 D:HIS26 3.2 20.3 1.0 OD1 D:ASP168 3.5 17.1 1.0 ND1 D:HIS172 4.3 19.3 1.0 ND1 D:HIS81 4.3 20.3 1.0 CG D:HIS172 4.3 17.6 1.0 CG D:HIS81 4.3 20.8 1.0 ND1 D:HIS26 4.4 19.1 1.0 CZ2 D:TRP133 4.4 17.4 1.0 CG D:HIS26 4.4 20.5 1.0 CB D:ASP168 4.4 17.3 1.0 CB D:TRP170 4.5 18.5 1.0 CG D:TRP170 4.7 19.4 1.0 NE2 D:GLN154 4.8 18.1 1.0 CH2 D:TRP133 4.8 18.3 1.0 CB D:ALA173 4.9 19.3 1.0

Y.Sheng, D.Cascio, J.S.Valentine. Crystal Structure of SOD2 From Saccharomyces Cerevisiae To Be Published.