Manganese in PDB 6s0d: H30 Mnsod-3 Mutant II

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

The structure of H30 Mnsod-3 Mutant II, PDB code: 6s0d 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)	58.32 / 1.52
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	82.480, 82.480, 135.220, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 21.9

The binding sites of Manganese atom in the H30 Mnsod-3 Mutant II (pdb code 6s0d). 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 II, PDB code: 6s0d:
Jump to Manganese binding site number: 1; 2;

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


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 II within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:16.9 occ:1.00 OD2 A:ASP155 2.1 17.4 1.0 O A:HOH359 2.1 17.6 1.0 NE2 A:HIS74 2.2 17.5 1.0 NE2 A:HIS159 2.2 16.0 1.0 NE2 A:HIS26 2.2 17.2 1.0 ND2 A:ASN30 3.1 17.8 0.5 CG A:ASP155 3.1 16.4 1.0 CE1 A:HIS74 3.1 17.1 1.0 CD2 A:HIS159 3.2 17.7 1.0 CE1 A:HIS26 3.2 17.8 1.0 CE1 A:HIS159 3.2 16.6 1.0 CD2 A:HIS74 3.2 19.0 1.0 CD2 A:HIS26 3.2 18.9 1.0 OD1 A:ASP155 3.5 18.2 1.0 CG A:ASN30 4.2 24.2 0.5 ND1 A:HIS74 4.3 18.8 1.0 ND1 A:HIS26 4.3 18.5 1.0 ND1 A:HIS159 4.3 16.8 1.0 CG A:HIS159 4.3 16.3 1.0 CG A:HIS74 4.3 18.1 1.0 CG A:HIS26 4.4 18.6 1.0 CZ2 A:TRP122 4.4 18.1 1.0 CB A:ASP155 4.4 16.8 1.0 NE2 A:GLN142 4.5 17.8 1.0 CB A:TRP157 4.6 15.7 1.0 CG A:TRP157 4.7 14.8 1.0 OD1 A:ASN30 4.8 25.0 0.5 CD1 A:TRP157 5.0 15.6 1.0 CH2 A:TRP122 5.0 18.5 1.0

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


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 II within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn201 b:28.3 occ:1.00 OD2 C:ASP155 2.0 30.8 1.0 NE2 C:HIS159 2.1 26.9 1.0 O C:HOH360 2.1 27.2 1.0 NE2 C:HIS74 2.2 27.9 1.0 NE2 C:HIS26 2.2 26.4 1.0 CE1 C:HIS159 3.0 26.6 1.0 CG C:ASP155 3.1 30.9 1.0 ND2 C:ASN30 3.1 26.2 0.4 CD2 C:HIS159 3.1 26.1 1.0 CD2 C:HIS74 3.1 27.6 1.0 CE1 C:HIS74 3.1 28.7 1.0 CE1 C:HIS26 3.2 29.6 1.0 CD2 C:HIS26 3.2 29.2 1.0 OD1 C:ASP155 3.5 26.4 1.0 ND1 C:HIS159 4.2 26.1 1.0 CG C:HIS159 4.2 26.9 1.0 CG C:ASN30 4.2 29.4 0.4 ND1 C:HIS74 4.2 26.4 1.0 CG C:HIS74 4.3 26.6 1.0 ND1 C:HIS26 4.3 33.5 1.0 CG C:HIS26 4.4 32.6 1.0 CZ2 C:TRP122 4.4 27.5 1.0 CB C:ASP155 4.4 26.6 1.0 NE2 C:GLN142 4.5 23.0 1.0 CB C:TRP157 4.7 24.1 1.0 CG C:TRP157 4.7 23.3 1.0 OD1 C:ASN30 4.8 30.1 0.4 CD1 C:TRP157 4.9 21.2 1.0 CH2 C:TRP122 4.9 27.7 1.0

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