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Manganese in PDB 6cyx: Crystal Structure Analysis of the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei

Enzymatic activity of Crystal Structure Analysis of the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei

All present enzymatic activity of Crystal Structure Analysis of the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei:
1.15.1.1;

Protein crystallography data

The structure of Crystal Structure Analysis of the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei, PDB code: 6cyx was solved by E.Mendoza Rengifo, J.R.S.Ferreira Jr., R.C.Garratt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 73.42 / 2.30
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.420, 75.340, 242.480, 90.00, 90.00, 90.00
R / Rfree (%) 24.1 / 29.2

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure Analysis of the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei (pdb code 6cyx). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the Crystal Structure Analysis of the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei, PDB code: 6cyx:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6;

Manganese binding site 1 out of 6 in 6cyx

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Manganese binding site 1 out of 6 in the Crystal Structure Analysis of the L80F Mutant 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 the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:61.6
occ:1.00
 OD2 A:ASP163 1.9 61.7 1.0
NE2 A:HIS167 2.4 42.1 1.0
NE2 A:HIS78 2.5 50.9 1.0
NE2 A:HIS30 2.5 36.9 1.0
CG A:ASP163 2.9 45.3 1.0
CE1 A:HIS167 3.1 44.1 1.0
CE1 A:HIS78 3.2 52.9 1.0
CE1 A:HIS30 3.3 37.2 1.0
OD1 A:ASP163 3.4 41.7 1.0
CD2 A:HIS167 3.5 41.0 1.0
CD2 A:HIS78 3.6 57.8 1.0
CD2 A:HIS30 3.6 38.8 1.0
CB A:TRP165 4.0 36.2 1.0
CZ2 A:TRP131 4.0 38.5 1.0
NE2 A:GLN149 4.0 41.1 1.0
CG A:TRP165 4.1 44.1 1.0
CB A:ASP163 4.2 43.4 1.0
ND1 A:HIS167 4.3 39.8 1.0
CD1 A:TRP165 4.4 41.4 1.0
ND1 A:HIS78 4.4 61.2 1.0
ND1 A:HIS30 4.5 37.9 1.0
CG A:HIS167 4.5 42.6 1.0
CE2 A:TRP131 4.6 37.7 1.0
CG A:HIS78 4.6 57.6 1.0
NE1 A:TRP131 4.6 29.8 1.0
CG A:HIS30 4.7 42.0 1.0
CD2 A:TRP165 4.8 40.3 1.0
CH2 A:TRP131 4.8 38.3 1.0
CD A:GLN149 5.0 38.9 1.0

Manganese binding site 2 out of 6 in 6cyx

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Manganese binding site 2 out of 6 in the Crystal Structure Analysis of the L80F Mutant 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 the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn301

b:67.6
occ:1.00
 OD2 B:ASP163 1.8 47.8 1.0
NE2 B:HIS30 2.3 43.5 1.0
NE2 B:HIS78 2.4 37.5 1.0
NE2 B:HIS167 2.4 38.2 1.0
CG B:ASP163 2.9 39.5 1.0
CE1 B:HIS30 3.2 44.6 1.0
CE1 B:HIS167 3.2 38.1 1.0
CE1 B:HIS78 3.2 34.2 1.0
CD2 B:HIS30 3.3 39.1 1.0
CD2 B:HIS78 3.4 34.6 1.0
OD1 B:ASP163 3.4 40.9 1.0
CD2 B:HIS167 3.5 32.5 1.0
CZ2 B:TRP131 4.0 40.1 1.0
CB B:ASP163 4.1 33.2 1.0
CB B:TRP165 4.2 27.7 1.0
ND1 B:HIS30 4.3 50.6 1.0
ND1 B:HIS78 4.4 34.8 1.0
ND1 B:HIS167 4.4 39.0 1.0
CG B:HIS30 4.4 43.2 1.0
CG B:TRP165 4.4 33.6 1.0
CG B:HIS78 4.5 36.8 1.0
NE2 B:GLN149 4.5 29.6 1.0
CG B:HIS167 4.5 32.5 1.0
CH2 B:TRP131 4.6 34.3 1.0
CD1 B:TRP165 4.7 33.0 1.0
CE2 B:TRP131 4.8 40.6 1.0
CB B:ALA168 5.0 31.3 1.0

Manganese binding site 3 out of 6 in 6cyx

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Manganese binding site 3 out of 6 in the Crystal Structure Analysis of the L80F Mutant 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 the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn301

b:82.2
occ:1.00
 OD2 C:ASP163 1.8 72.9 1.0
NE2 C:HIS167 2.0 76.7 1.0
NE2 C:HIS78 2.6 35.7 1.0
CE1 C:HIS167 2.7 61.1 1.0
NE2 C:HIS30 2.7 69.9 1.0
CG C:ASP163 2.8 58.3 1.0
OD1 C:ASP163 3.2 64.0 1.0
CE1 C:HIS78 3.2 38.8 1.0
CD2 C:HIS167 3.2 59.6 1.0
CE1 C:HIS30 3.7 54.1 1.0
CD2 C:HIS30 3.7 57.4 1.0
CD2 C:HIS78 3.7 41.9 1.0
ND1 C:HIS167 4.0 57.6 1.0
CB C:TRP165 4.0 55.5 1.0
NE2 C:GLN149 4.0 44.0 1.0
CZ2 C:TRP131 4.1 40.9 1.0
CB C:ASP163 4.1 57.3 1.0
CG C:TRP165 4.1 54.7 1.0
CG C:HIS167 4.2 58.0 1.0
CD1 C:TRP165 4.3 49.5 1.0
ND1 C:HIS78 4.4 35.5 1.0
CE2 C:TRP131 4.7 42.5 1.0
CG C:HIS78 4.7 40.0 1.0
CD2 C:TRP165 4.7 48.8 1.0
NE1 C:TRP131 4.8 39.2 1.0
ND1 C:HIS30 4.8 57.2 1.0
CG C:HIS30 4.8 56.1 1.0
CH2 C:TRP131 4.8 46.3 1.0

Manganese binding site 4 out of 6 in 6cyx

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Manganese binding site 4 out of 6 in the Crystal Structure Analysis of the L80F Mutant 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 the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn301

b:38.3
occ:1.00
 OD2 D:ASP163 2.1 50.9 1.0
NE2 D:HIS78 2.1 41.5 1.0
NE2 D:HIS167 2.3 27.6 1.0
NE2 D:HIS30 2.5 37.6 1.0
CE1 D:HIS78 2.9 34.5 1.0
CE1 D:HIS167 3.0 27.6 1.0
CG D:ASP163 3.1 40.0 1.0
CD2 D:HIS78 3.3 38.6 1.0
CE1 D:HIS30 3.4 21.1 1.0
CD2 D:HIS30 3.5 30.7 1.0
CD2 D:HIS167 3.5 38.9 1.0
OD1 D:ASP163 3.6 42.7 1.0
CZ2 D:TRP131 3.9 18.1 1.0
ND1 D:HIS78 4.1 43.6 1.0
NE2 D:GLN149 4.2 32.3 1.0
ND1 D:HIS167 4.2 58.0 1.0
CG D:HIS78 4.3 41.6 1.0
CB D:TRP165 4.3 51.0 1.0
CB D:ASP163 4.3 39.4 1.0
CG D:TRP165 4.4 42.5 1.0
CG D:HIS167 4.5 46.3 1.0
ND1 D:HIS30 4.5 31.7 1.0
CE2 D:TRP131 4.6 22.1 1.0
CG D:HIS30 4.6 27.2 1.0
CH2 D:TRP131 4.6 26.8 1.0
CD1 D:TRP165 4.6 33.2 1.0
NE1 D:TRP131 4.7 25.6 1.0
CD2 D:TRP165 4.9 27.7 1.0

Manganese binding site 5 out of 6 in 6cyx

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Manganese binding site 5 out of 6 in the Crystal Structure Analysis of the L80F Mutant 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 the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn301

b:72.3
occ:1.00
 NE2 E:HIS167 1.9 47.7 1.0
OD2 E:ASP163 2.1 75.8 1.0
NE2 E:HIS30 2.4 40.5 1.0
NE2 E:HIS78 2.4 51.4 1.0
CE1 E:HIS167 2.7 42.1 1.0
CD2 E:HIS167 3.1 35.2 1.0
CG E:ASP163 3.2 65.1 1.0
CE1 E:HIS78 3.2 46.0 1.0
CD2 E:HIS30 3.3 31.1 1.0
CE1 E:HIS30 3.4 31.5 1.0
CD2 E:HIS78 3.5 46.3 1.0
OD1 E:ASP163 3.7 67.0 1.0
ND1 E:HIS167 3.9 42.3 1.0
CG E:HIS167 4.1 40.9 1.0
CB E:TRP165 4.2 47.3 1.0
CZ2 E:TRP131 4.2 35.4 1.0
ND1 E:HIS78 4.4 50.2 1.0
CB E:ASP163 4.4 37.0 1.0
CG E:TRP165 4.4 48.5 1.0
CG E:HIS30 4.5 30.5 1.0
ND1 E:HIS30 4.5 28.8 1.0
NE2 E:GLN149 4.6 45.4 1.0
CG E:HIS78 4.6 45.8 1.0
CD1 E:TRP165 4.8 42.9 1.0
CH2 E:TRP131 4.9 37.3 1.0
CE2 E:TRP131 4.9 31.2 1.0
CD2 E:TRP165 5.0 35.3 1.0
CB E:ALA168 5.0 29.1 1.0

Manganese binding site 6 out of 6 in 6cyx

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Manganese binding site 6 out of 6 in the Crystal Structure Analysis of the L80F Mutant 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 the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn301

b:52.6
occ:1.00
 OD2 F:ASP163 1.9 71.8 1.0
NE2 F:HIS167 2.2 60.9 1.0
NE2 F:HIS78 2.3 44.8 1.0
NE2 F:HIS30 2.6 43.4 1.0
CE1 F:HIS167 3.0 58.2 1.0
CE1 F:HIS78 3.0 45.2 1.0
CG F:ASP163 3.0 60.4 1.0
CD2 F:HIS167 3.4 61.8 1.0
OD1 F:ASP163 3.4 58.2 1.0
CD2 F:HIS78 3.4 47.6 1.0
CE1 F:HIS30 3.5 44.5 1.0
CD2 F:HIS30 3.6 44.3 1.0
CB F:TRP165 4.1 54.9 1.0
CZ2 F:TRP131 4.1 40.7 1.0
NE2 F:GLN149 4.1 53.5 1.0
ND1 F:HIS167 4.2 61.4 1.0
ND1 F:HIS78 4.2 45.1 1.0
CG F:TRP165 4.2 55.4 1.0
CB F:ASP163 4.3 58.1 1.0
CG F:HIS167 4.4 62.2 1.0
CG F:HIS78 4.5 52.1 1.0
CD1 F:TRP165 4.5 50.6 1.0
ND1 F:HIS30 4.6 52.5 1.0
CG F:HIS30 4.7 49.8 1.0
CE2 F:TRP131 4.8 48.6 1.0
CD2 F:TRP165 4.8 51.0 1.0
CH2 F:TRP131 4.9 37.8 1.0
NE1 F:TRP131 4.9 46.4 1.0

Reference:

E.Mendoza Rengifo, J.R.S.Ferreira Jr., R.C.Garratt. Crystal Structure Analysis of the L80F Mutant of Superoxide Dismutase From Trichoderma Reesei To Be Published.
Page generated: Tue Dec 15 04:51:33 2020

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