Manganese in PDB 3c3s: 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: 3c3s 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 / 2.50
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	81.270, 81.270, 242.501, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 22.1

The binding sites of Manganese atom in the Role of A Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase (pdb code 3c3s). 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: 3c3s:
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:21.7 occ:1.00 OD1 A:ASP159 2.0 18.3 1.0 O A:HOH338 2.0 31.1 1.0 NE2 A:HIS74 2.1 18.0 1.0 NE2 A:HIS26 2.2 20.6 1.0 NE2 A:HIS163 2.3 20.1 1.0 CE1 A:HIS74 3.0 17.3 1.0 CE1 A:HIS26 3.0 20.3 1.0 CG A:ASP159 3.1 19.5 1.0 CD2 A:HIS74 3.1 16.3 1.0 CE1 A:HIS163 3.2 19.3 1.0 CD2 A:HIS26 3.2 19.5 1.0 CD2 A:HIS163 3.3 22.1 1.0 OD2 A:ASP159 3.5 19.6 1.0 CZ2 A:TRP123 4.0 14.3 1.0 ND1 A:HIS74 4.1 16.1 1.0 ND1 A:HIS26 4.2 18.6 1.0 CG A:HIS74 4.2 18.4 1.0 CG A:HIS26 4.3 20.5 1.0 CB A:ASP159 4.3 18.7 1.0 ND1 A:HIS163 4.3 20.8 1.0 NE2 A:GLN143 4.4 16.4 1.0 CG A:HIS163 4.4 21.4 1.0 CH2 A:TRP123 4.5 11.9 1.0 CB A:TRP161 4.5 15.4 1.0 CG A:TRP161 4.7 15.4 1.0 CE2 A:TRP123 4.9 12.7 1.0 CB A:ALA164 4.9 19.8 1.0 CD1 A:TRP161 5.0 16.6 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:20.7 occ:1.00 OD1 B:ASP159 1.9 18.6 1.0 O B:HOH337 2.0 32.2 1.0 NE2 B:HIS74 2.0 15.1 1.0 NE2 B:HIS26 2.2 19.4 1.0 NE2 B:HIS163 2.2 17.3 1.0 CE1 B:HIS74 2.9 14.4 1.0 CG B:ASP159 3.0 19.1 1.0 CE1 B:HIS26 3.1 19.1 1.0 CD2 B:HIS74 3.1 15.8 1.0 CE1 B:HIS163 3.1 19.6 1.0 CD2 B:HIS26 3.2 18.5 1.0 CD2 B:HIS163 3.3 18.3 1.0 OD2 B:ASP159 3.4 20.0 1.0 ND1 B:HIS74 4.0 16.4 1.0 CZ2 B:TRP123 4.1 14.7 1.0 CG B:HIS74 4.2 16.4 1.0 ND1 B:HIS26 4.2 16.6 1.0 CB B:ASP159 4.3 19.0 1.0 ND1 B:HIS163 4.3 20.8 1.0 CG B:HIS26 4.3 19.0 1.0 CG B:HIS163 4.4 19.3 1.0 CB B:TRP161 4.5 15.8 1.0 NE2 B:GLN143 4.5 10.0 1.0 CG B:TRP161 4.7 16.3 1.0 CH2 B:TRP123 4.7 13.3 1.0 CB B:ALA164 4.9 13.6 1.0 CE2 B:TRP123 4.9 13.9 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