Manganese in PDB 8vj0: Neutron Structure of Oxidized TRP161PHE Mnsod

All present enzymatic activity of Neutron Structure of Oxidized TRP161PHE Mnsod:
1.15.1.1;

The binding sites of Manganese atom in the Neutron Structure of Oxidized TRP161PHE Mnsod (pdb code 8vj0). 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 TRP161PHE Mnsod, PDB code: 8vj0:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Neutron Structure of Oxidized TRP161PHE 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 TRP161PHE Mnsod within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:9.1 occ:1.00 O A:HOH325 1.8 8.4 1.0 OD2 A:ASP159 2.0 7.4 1.0 NE2 A:HIS26 2.0 8.5 1.0 NE2 A:HIS74 2.2 12.9 1.0 NE2 A:HIS163 2.2 9.5 1.0 D1 A:HOH325 2.3 10.1 1.0 CE1 A:HIS26 2.9 8.1 1.0 CD2 A:HIS26 3.0 12.0 1.0 CE1 A:HIS163 3.0 10.3 1.0 CE1 A:HIS74 3.1 11.5 1.0 CD2 A:HIS74 3.1 14.5 1.0 CG A:ASP159 3.1 6.5 1.0 DE1 A:HIS163 3.2 12.4 1.0 DE1 A:HIS26 3.2 9.7 1.0 CD2 A:HIS163 3.3 10.4 1.0 DD2 A:HIS26 3.3 14.4 1.0 DE1 A:HIS74 3.3 13.8 1.0 DD2 A:HIS74 3.3 17.4 1.0 DB2 A:PHE161 3.5 11.5 1.0 DD2 A:HIS163 3.6 12.5 1.0 DE22 A:GLN143 3.6 10.1 1.0 DZ2 A:TRP123 3.6 11.7 1.0 OD1 A:ASP159 3.7 8.0 1.0 DE2 A:TYR34 4.0 8.8 1.0 ND1 A:HIS26 4.0 8.5 1.0 DB1 A:ALA164 4.1 15.1 1.0 CG A:HIS26 4.1 8.4 1.0 ND1 A:HIS163 4.2 7.4 1.0 ND1 A:HIS74 4.2 7.0 1.0 CG A:HIS74 4.3 10.6 1.0 CG A:HIS163 4.3 9.7 1.0 CB A:PHE161 4.3 9.6 1.0 CB A:ASP159 4.4 10.1 1.0 CZ2 A:TRP123 4.4 9.8 1.0 DB3 A:PHE161 4.4 11.5 1.0 DB2 A:ASP159 4.5 12.1 1.0 DB3 A:ASP159 4.6 12.1 1.0 CG A:PHE161 4.6 8.9 1.0 NE2 A:GLN143 4.6 8.6 1.0 DB3 A:HIS30 4.7 9.6 1.0 OH A:TYR34 4.7 6.2 1.0 DD1 A:PHE161 4.8 9.8 1.0 CD1 A:PHE161 4.8 8.2 1.0 DE1 A:TRP123 4.9 11.4 1.0 DH2 A:TRP123 4.9 9.0 1.0 DD1 A:HIS26 5.0 10.2 1.0 CE2 A:TYR34 5.0 7.3 1.0 DB2 A:ALA164 5.0 15.1 1.0

Manganese binding site 2 out of 2 in the Neutron Structure of Oxidized TRP161PHE 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 TRP161PHE Mnsod within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:9.6 occ:1.00 O B:HOH316 1.8 9.2 1.0 OD2 B:ASP159 2.0 9.2 1.0 NE2 B:HIS26 2.0 11.8 1.0 NE2 B:HIS163 2.2 7.8 1.0 NE2 B:HIS74 2.2 13.3 1.0 D1 B:HOH316 2.3 11.1 1.0 CE1 B:HIS26 2.9 8.6 1.0 CE1 B:HIS163 3.0 6.2 1.0 CD2 B:HIS26 3.0 9.3 1.0 CE1 B:HIS74 3.1 11.8 1.0 DE1 B:HIS163 3.1 7.4 1.0 DE1 B:HIS26 3.1 10.3 1.0 CG B:ASP159 3.1 7.8 1.0 CD2 B:HIS74 3.1 8.5 1.0 CD2 B:HIS163 3.3 8.5 1.0 DD2 B:HIS26 3.3 11.2 1.0 DE1 B:HIS74 3.3 14.2 1.0 DD2 B:HIS74 3.4 10.2 1.0 DB2 B:PHE161 3.5 8.0 1.0 DE22 B:GLN143 3.6 11.1 1.0 DD2 B:HIS163 3.6 10.2 1.0 DZ2 B:TRP123 3.7 13.6 1.0 OD1 B:ASP159 3.7 9.7 1.0 ND1 B:HIS26 4.0 6.6 1.0 DH B:TYR34 4.0 11.0 1.0 DE2 B:TYR34 4.0 12.7 1.0 CG B:HIS26 4.1 7.7 1.0 ND1 B:HIS163 4.2 6.2 1.0 ND1 B:HIS74 4.2 13.2 1.0 CG B:HIS74 4.3 9.5 1.0 CB B:PHE161 4.3 6.6 1.0 DB3 B:ALA164 4.3 7.8 1.0 CB B:ASP159 4.3 9.4 1.0 CG B:HIS163 4.3 5.4 1.0 DB3 B:PHE161 4.4 8.0 1.0 CZ2 B:TRP123 4.4 11.3 1.0 DB2 B:ASP159 4.4 11.2 1.0 DB3 B:HIS30 4.4 8.4 1.0 CG B:PHE161 4.5 7.3 1.0 NE2 B:GLN143 4.6 8.9 1.0 DB3 B:ASP159 4.6 11.2 1.0 CD1 B:PHE161 4.8 7.0 1.0 DD1 B:PHE161 4.8 8.4 1.0 OH B:TYR34 4.9 9.2 1.0 DE1 B:TRP123 4.9 10.8 1.0 DD1 B:HIS26 4.9 8.0 1.0 DB2 B:HIS30 4.9 8.4 1.0 DH2 B:TRP123 5.0 12.2 1.0

J.Azadmanesh, K.Slobodnik, L.R.Struble, W.E.Lutz, L.Coates, K.L.Weiss, D.A.A.Myles, T.Kroll, G.E.O.Borgstahl. Revealing the Atomic and Electronic Mechanism of Human Manganese Superoxide Dismutase Product Inhibition. Biorxiv 2024.
ISSN: ISSN 2692-8205
PubMed: 38328249
DOI: 10.1101/2024.01.26.577433