Manganese in PDB 5tir: Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei

All present enzymatic activity of Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei:
1.15.1.1;

The structure of Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei, PDB code: 5tir was solved by E.R.Mendoza, J.Brandao-Neto, H.M.Pereira, J.R.S.Ferreira Junior, R.C.Garratt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.73 / 1.62
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.100, 77.640, 159.040, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 18.5

The binding sites of Manganese atom in the Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei (pdb code 5tir). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei, PDB code: 5tir:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:17.9 occ:1.00 OD2 A:ASP163 2.0 15.1 1.0 O A:HOH482 2.1 16.6 1.0 NE2 A:HIS167 2.2 16.6 1.0 NE2 A:HIS78 2.2 15.1 1.0 NE2 A:HIS30 2.2 15.5 1.0 CG A:ASP163 3.1 15.9 1.0 CE1 A:HIS78 3.1 17.3 1.0 CE1 A:HIS30 3.1 14.8 1.0 CD2 A:HIS167 3.1 16.6 1.0 CE1 A:HIS167 3.2 15.9 1.0 CD2 A:HIS30 3.2 14.5 1.0 CD2 A:HIS78 3.2 17.0 1.0 OD1 A:ASP163 3.5 14.1 1.0 ND1 A:HIS78 4.2 16.9 1.0 ND1 A:HIS30 4.3 16.4 1.0 CZ2 A:TRP131 4.3 14.0 1.0 ND1 A:HIS167 4.3 15.5 1.0 CG A:HIS167 4.3 13.2 1.0 CG A:HIS78 4.3 16.1 1.0 CG A:HIS30 4.3 12.5 1.0 CB A:ASP163 4.3 13.7 1.0 NE2 A:GLN149 4.4 17.5 1.0 CB A:TRP165 4.5 13.7 1.0 CG A:TRP165 4.6 15.2 1.0 CH2 A:TRP131 4.9 14.2 1.0 CD1 A:TRP165 4.9 12.5 1.0 CE2 A:TRP131 5.0 14.6 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:17.1 occ:1.00 OD2 B:ASP163 2.0 16.9 1.0 O B:HOH483 2.0 17.1 1.0 NE2 B:HIS78 2.2 16.2 1.0 NE2 B:HIS30 2.2 15.9 1.0 NE2 B:HIS167 2.2 17.3 1.0 CE1 B:HIS78 3.1 16.4 1.0 CG B:ASP163 3.1 15.5 1.0 CE1 B:HIS30 3.1 18.6 1.0 CD2 B:HIS167 3.2 16.3 1.0 CD2 B:HIS30 3.2 15.8 1.0 CD2 B:HIS78 3.2 16.2 1.0 CE1 B:HIS167 3.2 17.2 1.0 OD1 B:ASP163 3.5 14.7 1.0 ND1 B:HIS78 4.2 16.2 1.0 CZ2 B:TRP131 4.3 14.7 1.0 ND1 B:HIS30 4.3 17.7 1.0 CG B:HIS78 4.3 16.5 1.0 CG B:HIS30 4.3 16.1 1.0 ND1 B:HIS167 4.3 16.4 1.0 CG B:HIS167 4.3 13.6 1.0 CB B:ASP163 4.3 14.5 1.0 NE2 B:GLN149 4.4 19.8 1.0 CB B:TRP165 4.5 13.5 1.0 CG B:TRP165 4.7 14.4 1.0 CH2 B:TRP131 4.9 16.2 1.0 CD1 B:TRP165 4.9 13.7 1.0 CE2 B:TRP131 5.0 16.1 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn301 b:18.1 occ:1.00 OD2 C:ASP163 2.0 16.5 1.0 O C:HOH458 2.1 17.6 1.0 NE2 C:HIS167 2.2 16.5 1.0 NE2 C:HIS30 2.2 15.3 1.0 NE2 C:HIS78 2.2 18.7 1.0 CG C:ASP163 3.1 14.9 1.0 CE1 C:HIS30 3.1 16.1 1.0 CE1 C:HIS167 3.1 15.4 1.0 CD2 C:HIS167 3.2 16.8 1.0 CE1 C:HIS78 3.2 17.1 1.0 CD2 C:HIS30 3.2 15.0 1.0 CD2 C:HIS78 3.2 15.7 1.0 OD1 C:ASP163 3.5 15.5 1.0 ND1 C:HIS30 4.2 15.7 1.0 CZ2 C:TRP131 4.2 15.5 1.0 ND1 C:HIS167 4.3 16.0 1.0 ND1 C:HIS78 4.3 17.3 1.0 CG C:HIS30 4.3 14.6 1.0 CG C:HIS167 4.3 15.2 1.0 CB C:ASP163 4.3 15.3 1.0 CG C:HIS78 4.4 15.8 1.0 NE2 C:GLN149 4.4 21.2 1.0 CB C:TRP165 4.5 15.3 1.0 CG C:TRP165 4.6 14.9 1.0 CH2 C:TRP131 4.9 20.1 1.0 CD1 C:TRP165 4.9 15.9 1.0 CE2 C:TRP131 5.0 15.5 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn301 b:17.1 occ:1.00 OD2 D:ASP163 2.0 16.0 1.0 O D:HOH485 2.1 17.2 1.0 NE2 D:HIS30 2.1 14.6 1.0 NE2 D:HIS167 2.2 14.6 1.0 NE2 D:HIS78 2.2 18.1 1.0 CE1 D:HIS30 3.1 16.2 1.0 CG D:ASP163 3.1 16.2 1.0 CE1 D:HIS78 3.1 17.0 1.0 CD2 D:HIS167 3.1 16.1 1.0 CD2 D:HIS30 3.1 15.8 1.0 CE1 D:HIS167 3.2 17.6 1.0 CD2 D:HIS78 3.2 17.2 1.0 OD1 D:ASP163 3.5 15.0 1.0 ND1 D:HIS30 4.2 15.9 1.0 CZ2 D:TRP131 4.2 16.1 1.0 ND1 D:HIS78 4.2 16.9 1.0 CG D:HIS30 4.3 14.8 1.0 ND1 D:HIS167 4.3 16.6 1.0 CG D:HIS167 4.3 16.5 1.0 CG D:HIS78 4.3 15.3 1.0 CB D:ASP163 4.3 14.3 1.0 CB D:TRP165 4.5 13.4 1.0 NE2 D:GLN149 4.5 16.3 1.0 CG D:TRP165 4.7 14.3 1.0 CH2 D:TRP131 4.8 16.3 1.0 CD1 D:TRP165 4.9 14.4 1.0 CE2 D:TRP131 5.0 14.4 1.0

E.R.Mendoza, J.Brandao-Neto, H.M.Pereira, J.R.S.Ferreira Junior, J.E.Penner-Hahn, R.C.Garratt. Crystal Structure of Mn Superoxide Dismutase Mutant M27V From Trichoderma Reesei To Be Published.