Manganese in PDB 6dqy: Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei

All present enzymatic activity of Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei:
1.15.1.1;

The structure of Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei, PDB code: 6dqy was solved by E.R.Mendoza, L.B.F.Stelmastchuk, 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)	81.15 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	73.770, 113.060, 162.710, 91.59, 93.79, 89.98
R / Rfree (%)	16.2 / 20.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Manganese atom in the Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei (pdb code 6dqy). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 24 binding sites of Manganese where determined in the Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei, PDB code: 6dqy:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 24 in the Crystal Structure Analysis of Superoxide Dismutase 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 Analysis of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:20.5 occ:1.00 OD2 A:ASP163 2.0 24.4 1.0 NE2 A:HIS167 2.2 10.1 1.0 O A:HOH419 2.2 16.9 1.0 NE2 A:HIS78 2.2 15.0 1.0 NE2 A:HIS30 2.3 16.7 1.0 CE1 A:HIS78 3.1 14.2 1.0 CG A:ASP163 3.1 22.1 1.0 CE1 A:HIS167 3.2 10.1 1.0 CE1 A:HIS30 3.2 15.9 1.0 CD2 A:HIS167 3.2 10.5 1.0 CD2 A:HIS30 3.3 14.9 1.0 CD2 A:HIS78 3.3 14.4 1.0 OD1 A:ASP163 3.5 21.4 1.0 CZ2 A:TRP131 4.0 16.6 1.0 ND1 A:HIS78 4.2 13.7 1.0 ND1 A:HIS167 4.3 10.0 1.0 ND1 A:HIS30 4.3 10.8 1.0 CB A:ASP163 4.3 19.9 1.0 CG A:HIS167 4.3 9.8 1.0 CG A:HIS78 4.4 14.0 1.0 CG A:HIS30 4.4 16.6 1.0 NE2 A:GLN149 4.4 12.0 1.0 CB A:TRP165 4.4 13.6 1.0 CG A:TRP165 4.6 13.8 1.0 CH2 A:TRP131 4.7 15.8 1.0 CE2 A:TRP131 4.8 16.6 1.0 CD1 A:TRP165 4.9 11.7 1.0

Manganese binding site 2 out of 24 in the Crystal Structure Analysis of Superoxide Dismutase 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 Analysis of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:21.8 occ:1.00 OD2 B:ASP163 2.0 24.6 1.0 O B:HOH451 2.2 15.8 1.0 NE2 B:HIS78 2.2 15.1 1.0 NE2 B:HIS30 2.3 15.1 1.0 NE2 B:HIS167 2.3 14.8 1.0 CG B:ASP163 3.1 17.6 1.0 CE1 B:HIS78 3.2 14.2 1.0 CD2 B:HIS78 3.2 14.2 1.0 CE1 B:HIS30 3.2 12.4 1.0 CD2 B:HIS30 3.2 11.6 1.0 CE1 B:HIS167 3.3 14.7 1.0 CD2 B:HIS167 3.3 15.6 1.0 OD1 B:ASP163 3.6 13.0 1.0 CZ2 B:TRP131 4.2 12.6 1.0 ND1 B:HIS78 4.3 14.7 1.0 CB B:ASP163 4.3 16.2 1.0 ND1 B:HIS30 4.3 12.7 1.0 CG B:HIS78 4.3 14.7 1.0 CG B:HIS30 4.4 15.6 1.0 NE2 B:GLN149 4.4 17.1 1.0 ND1 B:HIS167 4.4 14.5 1.0 CG B:HIS167 4.4 15.8 1.0 CB B:TRP165 4.5 12.2 1.0 CG B:TRP165 4.7 11.6 1.0 CH2 B:TRP131 4.8 13.1 1.0 CD1 B:TRP165 4.9 11.0 1.0 CE2 B:TRP131 5.0 13.2 1.0

Manganese binding site 3 out of 24 in the Crystal Structure Analysis of Superoxide Dismutase 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 Analysis of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn301 b:16.9 occ:1.00 OD2 C:ASP163 2.0 22.1 1.0 O C:HOH462 2.2 19.5 1.0 NE2 C:HIS30 2.2 15.7 1.0 NE2 C:HIS78 2.2 15.1 1.0 NE2 C:HIS167 2.3 16.8 1.0 CE1 C:HIS78 3.1 11.8 1.0 CE1 C:HIS30 3.1 14.6 1.0 CG C:ASP163 3.1 18.1 1.0 CD2 C:HIS30 3.2 14.7 1.0 CD2 C:HIS78 3.3 13.9 1.0 CD2 C:HIS167 3.3 15.3 1.0 CE1 C:HIS167 3.3 17.1 1.0 OD1 C:ASP163 3.6 11.9 1.0 CZ2 C:TRP131 4.2 18.1 1.0 ND1 C:HIS78 4.2 13.8 1.0 ND1 C:HIS30 4.2 15.2 1.0 CG C:HIS30 4.3 15.9 1.0 CG C:HIS78 4.4 15.3 1.0 CB C:ASP163 4.4 16.4 1.0 ND1 C:HIS167 4.4 17.8 1.0 CB C:TRP165 4.4 10.5 1.0 CG C:HIS167 4.4 17.0 1.0 NE2 C:GLN149 4.5 13.0 1.0 CG C:TRP165 4.6 15.6 1.0 CH2 C:TRP131 4.8 20.4 1.0 CD1 C:TRP165 4.9 11.4 1.0 CE2 C:TRP131 5.0 17.6 1.0

Manganese binding site 4 out of 24 in the Crystal Structure Analysis of Superoxide Dismutase 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 Analysis of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn301 b:21.2 occ:1.00 OD2 D:ASP163 2.0 21.7 1.0 O D:HOH415 2.1 17.5 1.0 NE2 D:HIS30 2.2 19.6 1.0 NE2 D:HIS167 2.2 14.9 1.0 NE2 D:HIS78 2.3 16.1 1.0 CG D:ASP163 3.1 20.1 1.0 CE1 D:HIS30 3.1 17.7 1.0 CE1 D:HIS167 3.1 14.0 1.0 CE1 D:HIS78 3.2 14.4 1.0 CD2 D:HIS30 3.2 17.5 1.0 CD2 D:HIS167 3.2 15.1 1.0 CD2 D:HIS78 3.3 14.1 1.0 OD1 D:ASP163 3.5 11.3 1.0 CZ2 D:TRP131 4.1 17.0 1.0 ND1 D:HIS30 4.2 17.6 1.0 ND1 D:HIS167 4.3 16.2 1.0 NE2 D:GLN149 4.3 17.2 1.0 ND1 D:HIS78 4.3 11.9 1.0 CG D:HIS30 4.3 17.1 1.0 CB D:TRP165 4.3 11.4 1.0 CG D:HIS167 4.3 16.7 1.0 CB D:ASP163 4.4 19.9 1.0 CG D:HIS78 4.4 15.3 1.0 CG D:TRP165 4.5 12.1 1.0 CH2 D:TRP131 4.8 16.3 1.0 CE2 D:TRP131 4.9 15.5 1.0 CD1 D:TRP165 4.9 11.9 1.0 CB D:ALA168 5.0 10.1 1.0

Manganese binding site 5 out of 24 in the Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn301 b:20.9 occ:1.00 OD2 E:ASP163 2.0 21.2 1.0 O E:HOH451 2.1 15.8 1.0 NE2 E:HIS30 2.2 20.0 1.0 NE2 E:HIS78 2.2 21.9 1.0 NE2 E:HIS167 2.3 16.1 1.0 CE1 E:HIS78 3.0 21.9 1.0 CG E:ASP163 3.1 20.1 1.0 CE1 E:HIS30 3.1 18.2 1.0 CD2 E:HIS30 3.2 18.3 1.0 CD2 E:HIS78 3.2 20.7 1.0 CD2 E:HIS167 3.3 15.1 1.0 CE1 E:HIS167 3.3 15.7 1.0 OD1 E:ASP163 3.6 21.9 1.0 CZ2 E:TRP131 4.1 15.7 1.0 ND1 E:HIS78 4.2 22.7 1.0 ND1 E:HIS30 4.2 17.6 1.0 CG E:HIS30 4.3 19.4 1.0 CG E:HIS78 4.3 21.6 1.0 CB E:ASP163 4.3 19.4 1.0 ND1 E:HIS167 4.4 15.2 1.0 CG E:HIS167 4.4 14.9 1.0 CB E:TRP165 4.5 11.7 1.0 NE2 E:GLN149 4.6 19.7 1.0 CG E:TRP165 4.6 17.9 1.0 CH2 E:TRP131 4.7 18.1 1.0 CD1 E:TRP165 4.9 13.1 1.0 CE2 E:TRP131 4.9 16.2 1.0

Manganese binding site 6 out of 24 in the Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ F:Mn301 b:20.1 occ:1.00 OD2 F:ASP163 2.0 24.4 1.0 NE2 F:HIS30 2.1 23.1 1.0 O F:HOH448 2.2 15.6 1.0 NE2 F:HIS167 2.3 13.1 1.0 NE2 F:HIS78 2.3 15.4 1.0 CE1 F:HIS30 3.0 22.1 1.0 CG F:ASP163 3.1 20.1 1.0 CE1 F:HIS78 3.2 16.1 1.0 CD2 F:HIS30 3.2 22.4 1.0 CD2 F:HIS167 3.2 15.0 1.0 CE1 F:HIS167 3.3 14.6 1.0 CD2 F:HIS78 3.4 15.2 1.0 OD1 F:ASP163 3.6 19.2 1.0 ND1 F:HIS30 4.2 22.3 1.0 CZ2 F:TRP131 4.2 13.7 1.0 CG F:HIS30 4.3 22.8 1.0 NE2 F:GLN149 4.3 13.8 1.0 ND1 F:HIS78 4.3 16.4 1.0 CB F:ASP163 4.4 15.9 1.0 ND1 F:HIS167 4.4 16.2 1.0 CG F:HIS167 4.4 18.4 1.0 CB F:TRP165 4.4 10.2 1.0 CG F:HIS78 4.4 15.0 1.0 CG F:TRP165 4.6 13.4 1.0 CD1 F:TRP165 4.9 12.7 1.0 CH2 F:TRP131 4.9 14.7 1.0 CE2 F:TRP131 4.9 16.4 1.0 CB F:ALA168 5.0 11.5 1.0

Manganese binding site 7 out of 24 in the Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ G:Mn301 b:18.1 occ:1.00 OD2 G:ASP163 2.0 19.3 1.0 NE2 G:HIS30 2.2 18.1 1.0 O G:HOH455 2.2 13.0 1.0 NE2 G:HIS78 2.3 16.1 1.0 NE2 G:HIS167 2.3 17.1 1.0 CE1 G:HIS30 3.0 15.4 1.0 CG G:ASP163 3.1 19.1 1.0 CE1 G:HIS78 3.2 17.2 1.0 CD2 G:HIS30 3.2 15.8 1.0 CE1 G:HIS167 3.3 18.2 1.0 CD2 G:HIS78 3.3 14.6 1.0 CD2 G:HIS167 3.3 17.9 1.0 OD1 G:ASP163 3.6 19.3 1.0 ND1 G:HIS30 4.2 14.3 1.0 CZ2 G:TRP131 4.2 18.8 1.0 CG G:HIS30 4.3 16.8 1.0 ND1 G:HIS78 4.3 17.3 1.0 CB G:ASP163 4.3 18.4 1.0 NE2 G:GLN149 4.4 18.7 1.0 CG G:HIS78 4.4 15.1 1.0 ND1 G:HIS167 4.4 18.0 1.0 CG G:HIS167 4.4 20.0 1.0 CB G:TRP165 4.5 17.5 1.0 CG G:TRP165 4.6 13.4 1.0 CD1 G:TRP165 4.9 13.1 1.0 CH2 G:TRP131 4.9 17.8 1.0 CE2 G:TRP131 4.9 14.6 1.0

Manganese binding site 8 out of 24 in the Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ H:Mn301 b:26.4 occ:1.00 OD2 H:ASP163 2.0 33.3 1.0 O H:HOH428 2.2 21.9 1.0 NE2 H:HIS78 2.2 24.9 1.0 NE2 H:HIS30 2.2 20.6 1.0 NE2 H:HIS167 2.3 21.4 1.0 CG H:ASP163 3.1 26.0 1.0 CE1 H:HIS78 3.1 24.5 1.0 CE1 H:HIS30 3.2 19.1 1.0 CD2 H:HIS30 3.2 19.0 1.0 CD2 H:HIS78 3.3 25.5 1.0 CE1 H:HIS167 3.3 18.9 1.0 CD2 H:HIS167 3.3 19.4 1.0 OD1 H:ASP163 3.5 22.9 1.0 CZ2 H:TRP131 4.2 22.2 1.0 ND1 H:HIS78 4.2 24.6 1.0 ND1 H:HIS30 4.3 20.3 1.0 CB H:ASP163 4.3 21.2 1.0 CG H:HIS30 4.3 21.5 1.0 CG H:HIS78 4.4 25.1 1.0 NE2 H:GLN149 4.4 18.3 1.0 ND1 H:HIS167 4.4 19.7 1.0 CG H:HIS167 4.5 19.8 1.0 CB H:TRP165 4.5 15.8 1.0 CG H:TRP165 4.6 17.8 1.0 CH2 H:TRP131 4.8 21.9 1.0 CD1 H:TRP165 4.9 17.1 1.0 CE2 H:TRP131 4.9 22.6 1.0

Manganese binding site 9 out of 24 in the Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ I:Mn301 b:17.4 occ:1.00 OD2 I:ASP163 2.1 24.2 1.0 O I:HOH446 2.1 14.8 1.0 NE2 I:HIS30 2.1 23.7 1.0 NE2 I:HIS78 2.3 15.2 1.0 NE2 I:HIS167 2.3 17.4 1.0 CE1 I:HIS30 3.1 22.4 1.0 CD2 I:HIS30 3.1 22.7 1.0 CE1 I:HIS78 3.2 15.0 1.0 CG I:ASP163 3.2 21.4 1.0 CE1 I:HIS167 3.2 16.7 1.0 CD2 I:HIS78 3.2 15.4 1.0 CD2 I:HIS167 3.3 19.2 1.0 OD1 I:ASP163 3.7 22.0 1.0 CZ2 I:TRP131 4.2 17.8 1.0 ND1 I:HIS30 4.2 23.5 1.0 CG I:HIS30 4.3 22.0 1.0 ND1 I:HIS78 4.3 15.6 1.0 ND1 I:HIS167 4.3 18.5 1.0 NE2 I:GLN149 4.4 20.7 1.0 CG I:HIS78 4.4 15.4 1.0 CG I:HIS167 4.4 18.9 1.0 CB I:ASP163 4.5 17.4 1.0 CB I:TRP165 4.5 13.5 1.0 CG I:TRP165 4.7 15.5 1.0 CH2 I:TRP131 4.8 16.9 1.0 CE2 I:TRP131 4.9 17.8 1.0 CD1 I:TRP165 5.0 13.9 1.0

Manganese binding site 10 out of 24 in the Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Crystal Structure Analysis of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range: probe atom residue distance (Å) B Occ J:Mn301 b:22.4 occ:1.00 OD2 J:ASP163 2.0 29.8 1.0 NE2 J:HIS30 2.2 19.9 1.0 O J:HOH447 2.2 19.9 1.0 NE2 J:HIS78 2.2 14.0 1.0 NE2 J:HIS167 2.4 16.1 1.0 CE1 J:HIS30 3.0 17.4 1.0 CE1 J:HIS78 3.1 14.4 1.0 CG J:ASP163 3.1 22.6 1.0 CD2 J:HIS30 3.2 16.7 1.0 CE1 J:HIS167 3.3 14.0 1.0 CD2 J:HIS78 3.3 12.2 1.0 CD2 J:HIS167 3.3 15.2 1.0 OD1 J:ASP163 3.7 16.7 1.0 ND1 J:HIS30 4.1 16.6 1.0 CZ2 J:TRP131 4.2 16.1 1.0 ND1 J:HIS78 4.3 13.9 1.0 CG J:HIS30 4.3 16.2 1.0 CB J:ASP163 4.3 18.3 1.0 CG J:HIS78 4.4 13.6 1.0 NE2 J:GLN149 4.4 12.9 1.0 ND1 J:HIS167 4.4 15.1 1.0 CG J:HIS167 4.5 15.9 1.0 CB J:TRP165 4.5 16.7 1.0 CG J:TRP165 4.7 17.1 1.0 CE2 J:TRP131 4.9 15.6 1.0 CD1 J:TRP165 4.9 11.3 1.0 CH2 J:TRP131 5.0 14.5 1.0

E.R.Mendoza, L.B.F.Stelmastchuk, J.R.S.Ferreira Junior, R.C.Garratt. Crystal Structure of Superoxide Dismutase From Trichoderma Reesei To Be Published.