Manganese in PDB 6qzn: H30 Mnsod-3 Mutant III

All present enzymatic activity of H30 Mnsod-3 Mutant III:
1.15.1.1;

The structure of H30 Mnsod-3 Mutant III, PDB code: 6qzn was solved by R.Bonetta, C.H.Trinh, G.J.Hunter, T.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.91 / 1.64
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	81.900, 81.900, 137.570, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22.8

The binding sites of Manganese atom in the H30 Mnsod-3 Mutant III (pdb code 6qzn). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the H30 Mnsod-3 Mutant III, PDB code: 6qzn:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the H30 Mnsod-3 Mutant III


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of H30 Mnsod-3 Mutant III within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:18.8 occ:1.00 OD2 A:ASP155 1.9 20.0 1.0 O A:HOH348 2.1 17.2 1.0 NE2 A:HIS159 2.1 18.0 1.0 NE2 A:HIS26 2.2 20.4 1.0 NE2 A:HIS74 2.2 20.9 1.0 CG A:ASP155 3.0 19.0 1.0 CE1 A:HIS26 3.1 22.2 1.0 CE1 A:HIS159 3.1 18.0 1.0 CE1 A:HIS74 3.1 20.0 1.0 CD2 A:HIS159 3.1 19.2 1.0 CD2 A:HIS26 3.2 21.6 1.0 CD2 A:HIS74 3.2 21.4 1.0 OD1 A:ASP155 3.5 20.2 1.0 ND1 A:HIS159 4.2 18.5 1.0 ND1 A:HIS26 4.2 22.6 1.0 ND1 A:HIS74 4.3 20.5 1.0 CG A:HIS159 4.3 18.5 1.0 CG A:HIS26 4.3 22.7 1.0 CZ2 A:TRP122 4.3 20.1 1.0 CG A:HIS74 4.4 21.6 1.0 CB A:ASP155 4.4 20.4 1.0 NE2 A:GLN142 4.5 18.4 1.0 CB A:TRP157 4.6 17.1 1.0 CG A:TRP157 4.7 16.7 1.0 CD1 A:TRP157 4.9 17.1 1.0 CH2 A:TRP122 5.0 21.2 1.0

Manganese binding site 2 out of 2 in the H30 Mnsod-3 Mutant III


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of H30 Mnsod-3 Mutant III within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn201 b:19.9 occ:1.00 OD2 C:ASP155 2.0 22.1 1.0 NE2 C:HIS26 2.1 20.4 1.0 NE2 C:HIS159 2.1 24.4 1.0 O C:HOH308 2.2 18.7 1.0 NE2 C:HIS74 2.2 21.1 1.0 CE1 C:HIS26 3.0 23.1 1.0 CG C:ASP155 3.1 21.7 1.0 CD2 C:HIS159 3.1 24.7 1.0 CD2 C:HIS26 3.1 23.0 1.0 CE1 C:HIS159 3.2 23.7 1.0 CD2 C:HIS74 3.2 20.9 1.0 CE1 C:HIS74 3.2 19.5 1.0 OD1 C:ASP155 3.5 20.3 1.0 ND1 C:HIS26 4.2 23.7 1.0 CG C:HIS26 4.2 23.7 1.0 ND1 C:HIS159 4.3 24.9 1.0 CG C:HIS159 4.3 25.1 1.0 ND1 C:HIS74 4.3 19.1 1.0 CB C:ASP155 4.3 22.5 1.0 CG C:HIS74 4.3 20.2 1.0 CZ2 C:TRP122 4.3 20.5 1.0 NE2 C:GLN142 4.4 18.7 1.0 CB C:TRP157 4.6 19.4 1.0 CG C:TRP157 4.7 17.7 1.0 CD1 C:TRP157 4.9 17.6 1.0 CH2 C:TRP122 5.0 21.0 1.0

R.Bonetta, C.H.Trinh, G.J.Hunter, T.Hunter. H30 Mnsod-3 Mutant II To Be Published.