Manganese in PDB 7kks: Neutron Structure of Oxidized Human Mnsod

All present enzymatic activity of Neutron Structure of Oxidized Human Mnsod:
1.15.1.1;

The binding sites of Manganese atom in the Neutron Structure of Oxidized Human Mnsod (pdb code 7kks). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Neutron Structure of Oxidized Human Mnsod, PDB code: 7kks:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Neutron Structure of Oxidized Human Mnsod


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Neutron Structure of Oxidized Human Mnsod within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:26.4 occ:1.00 O A:HOH329 1.8 22.8 1.0 OD2 A:ASP159 2.0 28.8 1.0 NE2 A:HIS163 2.1 29.1 1.0 NE2 A:HIS26 2.1 28.8 1.0 NE2 A:HIS74 2.1 26.9 1.0 D1 A:HOH329 2.2 27.3 1.0 CG A:ASP159 2.9 26.9 1.0 CE1 A:HIS74 3.0 23.1 1.0 CE1 A:HIS163 3.0 22.4 1.0 CE1 A:HIS26 3.0 32.1 1.0 CD2 A:HIS26 3.0 29.4 1.0 OD1 A:ASP159 3.1 17.6 1.0 CD2 A:HIS163 3.1 28.0 1.0 DE1 A:HIS74 3.1 27.7 1.0 DE1 A:HIS163 3.2 26.8 1.0 CD2 A:HIS74 3.2 23.2 1.0 DE1 A:HIS26 3.2 38.4 1.0 DD2 A:HIS26 3.3 35.1 1.0 DD2 A:HIS163 3.4 33.5 1.0 DE21 A:GLN143 3.4 27.3 1.0 DB2 A:TRP161 3.4 29.6 1.0 DD2 A:HIS74 3.5 27.8 1.0 DZ2 A:TRP123 3.8 25.5 1.0 DB2 A:ALA164 4.0 30.2 1.0 ND1 A:HIS26 4.1 27.7 1.0 ND1 A:HIS163 4.1 23.8 1.0 ND1 A:HIS74 4.2 18.2 1.0 CG A:HIS26 4.2 30.1 1.0 CG A:HIS163 4.2 27.3 1.0 CB A:ASP159 4.3 19.0 1.0 CG A:HIS74 4.3 19.1 1.0 CB A:TRP161 4.3 24.7 1.0 DE2 A:TYR34 4.4 34.5 1.0 NE2 A:GLN143 4.4 23.1 1.0 CZ2 A:TRP123 4.5 21.3 1.0 CG A:TRP161 4.5 19.5 1.0 DB2 A:ASP159 4.5 22.7 1.0 DB3 A:ASP159 4.5 22.7 1.0 DB3 A:TRP161 4.6 29.6 1.0 CD1 A:TRP161 4.7 18.8 1.0 DB3 A:HIS30 4.8 28.7 1.0 DD1 A:TRP161 4.8 22.5 1.0 DH2 A:TRP123 4.8 22.8 1.0 DE22 A:GLN143 4.9 27.6 1.0 D A:TRP161 4.9 22.5 1.0 CH2 A:TRP123 5.0 19.1 1.0

Manganese binding site 2 out of 2 in the Neutron Structure of Oxidized Human Mnsod


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Neutron Structure of Oxidized Human Mnsod within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:24.2 occ:1.00 O B:HOH327 1.8 30.9 1.0 OD2 B:ASP159 1.8 24.0 1.0 NE2 B:HIS26 2.1 24.5 1.0 NE2 B:HIS74 2.1 21.5 1.0 NE2 B:HIS163 2.2 28.2 1.0 D2 B:HOH327 2.2 37.0 1.0 CG B:ASP159 2.8 18.0 1.0 CE1 B:HIS74 2.9 20.0 1.0 CE1 B:HIS26 2.9 18.2 1.0 DE1 B:HIS74 3.0 23.9 1.0 OD1 B:ASP159 3.0 23.9 1.0 CE1 B:HIS163 3.1 29.9 1.0 DE1 B:HIS26 3.1 21.7 1.0 CD2 B:HIS26 3.1 22.7 1.0 DE1 B:HIS163 3.2 35.8 1.0 CD2 B:HIS74 3.2 22.0 1.0 CD2 B:HIS163 3.3 28.1 1.0 DE21 B:GLN143 3.4 37.0 1.0 DD2 B:HIS26 3.4 27.1 1.0 DZ2 B:TRP123 3.5 23.2 1.0 DD2 B:HIS163 3.6 33.6 1.0 DB2 B:TRP161 3.6 25.3 1.0 DD2 B:HIS74 3.6 26.3 1.0 ND1 B:HIS74 4.0 22.0 1.0 ND1 B:HIS26 4.1 17.9 1.0 CZ2 B:TRP123 4.1 19.4 1.0 CB B:ASP159 4.2 21.9 1.0 CG B:HIS26 4.2 19.8 1.0 DB3 B:ALA164 4.2 24.7 1.0 ND1 B:HIS163 4.2 32.3 1.0 CG B:HIS74 4.3 23.6 1.0 DE2 B:TYR34 4.3 27.9 1.0 NE2 B:GLN143 4.4 21.4 1.0 CG B:HIS163 4.4 29.0 1.0 DB2 B:ASP159 4.4 26.2 1.0 CB B:TRP161 4.4 21.2 1.0 DB3 B:ASP159 4.5 26.2 1.0 CG B:TRP161 4.6 28.1 1.0 DH2 B:TRP123 4.6 27.2 1.0 CH2 B:TRP123 4.7 22.8 1.0 DB3 B:TRP161 4.7 25.3 1.0 DB3 B:HIS30 4.7 31.1 1.0 CD1 B:TRP161 4.8 22.1 1.0 DE1 B:TRP123 4.9 21.6 1.0 CE2 B:TRP123 4.9 22.7 1.0 DD1 B:TRP161 4.9 26.4 1.0 DE22 B:GLN143 4.9 25.6 1.0 DD1 B:HIS74 4.9 26.3 1.0 DD1 B:HIS26 5.0 21.3 1.0 D B:TRP161 5.0 24.8 1.0

J.Azadmanesh, W.E.Lutz, L.Coates, K.L.Weiss, G.E.O.Borgstahl. Direct Detection of Coupled Proton and Electron Transfers in Human Manganese Superoxide Dismutase. Nat Commun V. 12 2079 2021.
ISSN: ESSN 2041-1723
PubMed: 33824320
DOI: 10.1038/S41467-021-22290-1