Manganese in PDB 3c3t: Role of A Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase

All present enzymatic activity of Role of A Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase:
1.15.1.1;

The structure of Role of A Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase, PDB code: 3c3t was solved by P.S.Quint, J.F.Domsic, D.E.Cabelli, R.Mckenna, D.N.Silverman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 2.20
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	81.293, 81.293, 241.693, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 20.1

The binding sites of Manganese atom in the Role of A Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase (pdb code 3c3t). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Role of A Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase, PDB code: 3c3t:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Role of A Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Role of A Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn199 b:20.3 occ:1.00 OD1 A:ASP159 1.9 14.6 1.0 NE2 A:HIS163 2.1 22.1 1.0 O A:HOH401 2.1 16.9 1.0 NE2 A:HIS26 2.2 15.3 1.0 NE2 A:HIS74 2.2 9.8 1.0 CG A:ASP159 3.0 13.5 1.0 CE1 A:HIS163 3.0 21.1 1.0 CD2 A:HIS163 3.1 20.3 1.0 CE1 A:HIS26 3.1 15.2 1.0 CE1 A:HIS74 3.1 11.0 1.0 CD2 A:HIS74 3.2 10.9 1.0 CD2 A:HIS26 3.2 14.2 1.0 OD2 A:ASP159 3.5 12.3 1.0 CZ2 A:TRP123 4.1 10.9 1.0 ND1 A:HIS163 4.1 21.1 1.0 CG A:HIS163 4.2 20.6 1.0 ND1 A:HIS74 4.2 11.5 1.0 ND1 A:HIS26 4.2 15.4 1.0 CB A:ASP159 4.2 12.8 1.0 CG A:HIS74 4.3 11.3 1.0 CG A:HIS26 4.3 16.4 1.0 CB A:TRP161 4.5 15.2 1.0 NE2 A:GLN143 4.5 10.2 1.0 CG A:TRP161 4.7 15.5 1.0 CH2 A:TRP123 4.7 11.0 1.0 CE2 A:TRP123 4.9 10.3 1.0 CD1 A:TRP161 4.9 14.0 1.0 CB A:ALA164 5.0 17.0 1.0

Manganese binding site 2 out of 2 in the Role of A Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Role of A Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn199 b:17.9 occ:1.00 OD1 B:ASP159 1.9 13.8 1.0 O B:HOH405 2.0 19.0 1.0 NE2 B:HIS74 2.1 15.6 1.0 NE2 B:HIS163 2.1 18.9 1.0 NE2 B:HIS26 2.2 12.6 1.0 CE1 B:HIS74 3.0 14.6 1.0 CG B:ASP159 3.0 15.9 1.0 CE1 B:HIS163 3.1 18.1 1.0 CE1 B:HIS26 3.1 10.1 1.0 CD2 B:HIS163 3.1 17.1 1.0 CD2 B:HIS74 3.1 13.2 1.0 CD2 B:HIS26 3.2 10.2 1.0 OD2 B:ASP159 3.4 13.6 1.0 ND1 B:HIS74 4.1 15.5 1.0 CZ2 B:TRP123 4.1 12.4 1.0 ND1 B:HIS163 4.2 17.4 1.0 CG B:HIS74 4.2 14.7 1.0 ND1 B:HIS26 4.2 12.6 1.0 CB B:ASP159 4.3 16.0 1.0 CG B:HIS163 4.3 17.6 1.0 CG B:HIS26 4.3 12.7 1.0 CB B:TRP161 4.5 15.4 1.0 NE2 B:GLN143 4.5 13.2 1.0 CH2 B:TRP123 4.7 11.6 1.0 CG B:TRP161 4.7 15.1 1.0 CE2 B:TRP123 4.9 12.6 1.0 CB B:ALA164 5.0 13.3 1.0 CD1 B:TRP161 5.0 13.5 1.0

P.S.Quint, J.F.Domsic, D.E.Cabelli, R.Mckenna, D.N.Silverman. Role of A Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase. Biochemistry V. 47 4621 2008.
ISSN: ISSN 0006-2960
PubMed: 18373354
DOI: 10.1021/BI7024518