Manganese in PDB 6qzm: H30 Mnsod-3 Mutant I

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

The structure of H30 Mnsod-3 Mutant I, PDB code: 6qzm 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)	40.74 / 1.60
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	81.490, 81.490, 138.660, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 20.6

The binding sites of Manganese atom in the H30 Mnsod-3 Mutant I (pdb code 6qzm). 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 I, PDB code: 6qzm:
Jump to Manganese binding site number: 1; 2;

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


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 I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:8.4 occ:1.00 O A:HOH349 2.0 7.7 1.0 OD2 A:ASP155 2.0 9.0 1.0 NE2 A:HIS26 2.2 7.9 1.0 NE2 A:HIS74 2.2 8.8 1.0 NE2 A:HIS159 2.2 8.4 1.0 CG A:ASP155 3.1 7.4 1.0 CE1 A:HIS74 3.1 8.2 1.0 CE1 A:HIS26 3.1 7.8 1.0 CD2 A:HIS159 3.2 8.0 1.0 CE1 A:HIS159 3.2 9.1 1.0 CD2 A:HIS26 3.2 9.4 1.0 CD2 A:HIS74 3.2 9.4 1.0 OD1 A:ASP155 3.5 8.6 1.0 CZ2 A:TRP122 4.2 8.5 1.0 ND1 A:HIS74 4.2 9.0 1.0 ND1 A:HIS26 4.3 8.7 1.0 ND1 A:HIS159 4.3 7.1 1.0 CG A:HIS26 4.3 7.9 1.0 CG A:HIS159 4.3 7.2 1.0 CB A:ASP155 4.3 8.8 1.0 CG A:HIS74 4.3 9.0 1.0 NE2 A:GLN142 4.4 8.5 1.0 CB A:TRP157 4.5 7.3 1.0 CG A:TRP157 4.6 7.0 1.0 CH2 A:TRP122 4.8 9.8 1.0 CD1 A:TRP157 4.8 8.4 1.0 CE2 A:TRP122 4.9 7.8 1.0

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


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 I within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn201 b:11.5 occ:1.00 O C:HOH344 2.0 7.4 1.0 OD2 C:ASP155 2.1 12.6 1.0 NE2 C:HIS26 2.2 10.4 1.0 NE2 C:HIS74 2.2 10.6 1.0 NE2 C:HIS159 2.2 12.9 1.0 CE1 C:HIS26 3.1 12.6 1.0 CG C:ASP155 3.1 12.3 1.0 CE1 C:HIS74 3.1 11.3 1.0 CE1 C:HIS159 3.2 10.6 1.0 CD2 C:HIS26 3.2 13.6 1.0 CD2 C:HIS74 3.2 11.1 1.0 CD2 C:HIS159 3.2 12.3 1.0 OD1 C:ASP155 3.5 11.2 1.0 CZ2 C:TRP122 4.2 10.4 1.0 ND1 C:HIS26 4.2 13.5 1.0 ND1 C:HIS74 4.2 11.5 1.0 CG C:HIS26 4.3 12.7 1.0 ND1 C:HIS159 4.3 12.5 1.0 CG C:HIS74 4.3 11.2 1.0 CB C:ASP155 4.3 11.2 1.0 NE2 C:GLN142 4.4 10.5 1.0 CG C:HIS159 4.4 10.5 1.0 CB C:TRP157 4.5 10.2 1.0 CG C:TRP157 4.6 9.2 1.0 CH2 C:TRP122 4.8 11.2 1.0 CD1 C:TRP157 4.8 9.9 1.0 CE2 C:TRP122 4.9 10.6 1.0

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