Manganese in PDB 4br6: Crystal Structure of Chaetomium Thermophilum Mnsod

All present enzymatic activity of Crystal Structure of Chaetomium Thermophilum Mnsod:
1.15.1.1;

The structure of Crystal Structure of Chaetomium Thermophilum Mnsod, PDB code: 4br6 was solved by T.Haikarainen, C.Frioux, L.-Q.Zhnag, D.-C.Li, A.C.Papageorgiou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.959 / 2.00
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	69.140, 69.140, 300.430, 90.00, 90.00, 120.00
R / Rfree (%)	11.96 / 17.77

The structure of Crystal Structure of Chaetomium Thermophilum Mnsod also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Manganese atom in the Crystal Structure of Chaetomium Thermophilum Mnsod (pdb code 4br6). 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 Chaetomium Thermophilum Mnsod, PDB code: 4br6:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Chaetomium Thermophilum Mnsod


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 Chaetomium Thermophilum Mnsod within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:15.4 occ:1.00 OD2 A:ASP160 2.2 18.0 1.0 NE2 A:HIS26 2.3 18.8 1.0 NE2 A:HIS74 2.3 15.1 1.0 O A:HOH2187 2.4 22.6 1.0 NE2 A:HIS164 2.4 16.1 1.0 CD2 A:HIS74 3.1 16.7 1.0 CG A:ASP160 3.2 16.3 1.0 CE1 A:HIS26 3.2 21.2 1.0 CD2 A:HIS164 3.3 13.1 1.0 CD2 A:HIS26 3.3 14.6 1.0 CE1 A:HIS164 3.4 14.1 1.0 CE1 A:HIS74 3.4 14.8 1.0 OD1 A:ASP160 3.6 16.4 1.0 CZ2 A:TRP126 4.3 17.1 1.0 CG A:HIS74 4.4 16.2 1.0 ND1 A:HIS26 4.4 16.9 1.0 CB A:ASP160 4.4 16.3 1.0 CB A:TRP162 4.4 16.8 1.0 ND1 A:HIS74 4.4 15.5 1.0 CG A:HIS26 4.5 22.7 1.0 ND1 A:HIS164 4.5 12.2 1.0 CG A:HIS164 4.5 18.8 1.0 CG A:TRP162 4.5 14.0 1.0 NE2 A:GLN146 4.6 13.0 1.0 CD1 A:TRP162 4.7 13.5 1.0 CH2 A:TRP126 4.9 13.2 1.0 CE2 A:TRP126 5.0 17.0 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Chaetomium Thermophilum Mnsod


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 Chaetomium Thermophilum Mnsod within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:15.9 occ:1.00 OD2 B:ASP160 2.2 13.1 1.0 NE2 B:HIS164 2.3 16.3 1.0 NE2 B:HIS74 2.4 18.5 1.0 NE2 B:HIS26 2.4 12.8 1.0 O B:HOH2103 2.5 34.0 1.0 CG B:ASP160 3.2 14.5 1.0 CD2 B:HIS74 3.2 13.4 1.0 CE1 B:HIS164 3.3 21.8 1.0 CD2 B:HIS26 3.3 15.4 1.0 CD2 B:HIS164 3.3 15.6 1.0 CE1 B:HIS74 3.4 14.1 1.0 CE1 B:HIS26 3.4 13.3 1.0 OD1 B:ASP160 3.5 13.9 1.0 CZ2 B:TRP126 4.1 15.6 1.0 CB B:ASP160 4.4 14.1 1.0 CG B:HIS74 4.4 12.8 1.0 ND1 B:HIS164 4.4 17.4 1.0 ND1 B:HIS74 4.5 17.2 1.0 CG B:HIS164 4.5 16.1 1.0 CG B:HIS26 4.5 14.5 1.0 ND1 B:HIS26 4.5 16.2 1.0 NE2 B:GLN146 4.5 16.0 1.0 CB B:TRP162 4.6 20.1 1.0 CG B:TRP162 4.7 18.0 1.0 CH2 B:TRP126 4.7 15.6 1.0 CD1 B:TRP162 4.9 13.2 1.0 CE2 B:TRP126 4.9 15.0 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Chaetomium Thermophilum Mnsod


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 Chaetomium Thermophilum Mnsod within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn301 b:16.7 occ:1.00 OD2 C:ASP160 2.2 14.3 1.0 O C:HOH2167 2.2 16.1 1.0 NE2 C:HIS164 2.3 14.8 1.0 NE2 C:HIS26 2.3 16.3 1.0 NE2 C:HIS74 2.4 17.1 1.0 CD2 C:HIS74 3.2 13.1 1.0 CE1 C:HIS164 3.2 19.9 1.0 CD2 C:HIS26 3.2 13.4 1.0 CG C:ASP160 3.3 16.9 1.0 CE1 C:HIS26 3.3 18.2 1.0 CD2 C:HIS164 3.3 16.6 1.0 CE1 C:HIS74 3.4 20.5 1.0 OD1 C:ASP160 3.7 13.5 1.0 CZ2 C:TRP126 4.3 15.0 1.0 ND1 C:HIS164 4.3 16.0 1.0 CG C:HIS26 4.4 10.9 1.0 CG C:HIS74 4.4 16.2 1.0 ND1 C:HIS26 4.4 12.9 1.0 CG C:HIS164 4.4 16.9 1.0 CB C:ASP160 4.5 13.6 1.0 ND1 C:HIS74 4.5 17.1 1.0 CB C:TRP162 4.5 13.6 1.0 NE2 C:GLN146 4.6 13.3 1.0 CG C:TRP162 4.7 13.6 1.0 CH2 C:TRP126 4.9 13.8 1.0 CD1 C:TRP162 4.9 13.0 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Chaetomium Thermophilum Mnsod


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 Chaetomium Thermophilum Mnsod within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn301 b:17.6 occ:1.00 OD2 D:ASP160 2.3 20.0 1.0 NE2 D:HIS26 2.3 17.9 1.0 NE2 D:HIS164 2.4 14.0 1.0 NE2 D:HIS74 2.4 20.1 1.0 O D:HOH2164 2.4 12.9 1.0 CG D:ASP160 3.2 19.5 1.0 CE1 D:HIS26 3.3 19.1 1.0 CD2 D:HIS74 3.3 15.8 1.0 CD2 D:HIS164 3.3 16.6 1.0 CD2 D:HIS26 3.3 19.6 1.0 CE1 D:HIS164 3.3 18.7 1.0 CE1 D:HIS74 3.5 16.9 1.0 OD1 D:ASP160 3.6 14.6 1.0 CZ2 D:TRP126 4.3 13.4 1.0 CB D:ASP160 4.3 15.9 1.0 ND1 D:HIS26 4.4 23.4 1.0 ND1 D:HIS164 4.5 19.3 1.0 CG D:HIS26 4.5 19.3 1.0 CB D:TRP162 4.5 15.4 1.0 CG D:HIS164 4.5 16.6 1.0 CG D:HIS74 4.5 19.4 1.0 NE2 D:GLN146 4.5 14.2 1.0 ND1 D:HIS74 4.5 18.1 1.0 CG D:TRP162 4.6 16.8 1.0 CD1 D:TRP162 4.8 12.0 1.0 CH2 D:TRP126 4.9 14.8 1.0

T.Haikarainen, C.Frioux, L.Zhnag, D.Li, A.C.Papageorgiou. Crystal Structure and Biochemical Characterization of A Manganese Superoxide Dismutase From Chaetomium Thermophilum. Biochim.Biophys.Acta V.1844 422 2014.
ISSN: ISSN 0006-3002
PubMed: 24316252
DOI: 10.1016/J.BBAPAP.2013.11.014