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Manganese in PDB 6cyl: Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei

Enzymatic activity of Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei

All present enzymatic activity of Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei:
1.15.1.1;

Protein crystallography data

The structure of Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei, PDB code: 6cyl was solved by E.Mendoza Rengifo, R.C.Garratt, H.M.Pereira, J.R.S.Ferreira Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 79.14 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.571, 78.433, 158.283, 90.00, 90.00, 90.00
R / Rfree (%) 24.2 / 26.1

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei (pdb code 6cyl). 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 Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei, PDB code: 6cyl:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 6cyl

Go back to Manganese Binding Sites List in 6cyl
Manganese binding site 1 out of 4 in the Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) 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 Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:8.1
occ:1.00
 O A:HOH449 1.9 8.6 1.0
OD2 A:ASP163 2.0 7.6 1.0
NE2 A:HIS167 2.1 9.3 1.0
NE2 A:HIS30 2.1 10.0 1.0
NE2 A:HIS78 2.2 6.1 1.0
CE1 A:HIS167 3.0 8.9 1.0
CE1 A:HIS30 3.1 9.7 1.0
CE1 A:HIS78 3.1 4.4 1.0
CG A:ASP163 3.1 7.8 1.0
CD2 A:HIS30 3.2 10.0 1.0
CD2 A:HIS167 3.2 9.1 1.0
CD2 A:HIS78 3.3 6.8 1.0
OD1 A:ASP163 3.7 7.5 1.0
ND1 A:HIS167 4.2 5.1 1.0
ND1 A:HIS30 4.2 9.2 1.0
ND1 A:HIS78 4.3 5.6 1.0
CG A:HIS30 4.3 9.6 1.0
CG A:HIS167 4.3 7.7 1.0
CZ2 A:TRP131 4.3 6.1 1.0
CB A:ASP163 4.3 9.9 1.0
CG A:HIS78 4.4 7.2 1.0
CB A:TRP165 4.4 6.6 1.0
CG A:TRP165 4.5 8.3 1.0
OH A:TYR38 4.5 17.3 1.0
NE2 A:GLN74 4.6 8.3 1.0
CD1 A:TRP165 4.8 5.5 1.0
CE2 A:TYR38 4.9 9.3 1.0
CE2 A:TRP131 5.0 5.0 1.0

Manganese binding site 2 out of 4 in 6cyl

Go back to Manganese Binding Sites List in 6cyl
Manganese binding site 2 out of 4 in the Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) 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 Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn301

b:8.6
occ:1.00
 OD2 B:ASP163 2.0 11.8 1.0
NE2 B:HIS78 2.1 11.4 1.0
O B:HOH469 2.1 6.7 1.0
NE2 B:HIS30 2.1 7.0 1.0
NE2 B:HIS167 2.2 9.9 1.0
CE1 B:HIS78 3.0 10.9 1.0
CE1 B:HIS30 3.0 7.0 1.0
CG B:ASP163 3.1 9.9 1.0
CE1 B:HIS167 3.1 8.6 1.0
CD2 B:HIS30 3.2 8.6 1.0
CD2 B:HIS78 3.2 10.9 1.0
CD2 B:HIS167 3.2 7.7 1.0
OD1 B:ASP163 3.6 11.2 1.0
ND1 B:HIS78 4.2 10.9 1.0
ND1 B:HIS30 4.2 7.6 1.0
ND1 B:HIS167 4.2 9.5 1.0
CG B:HIS78 4.3 11.9 1.0
CG B:HIS30 4.3 9.9 1.0
CB B:ASP163 4.3 7.4 1.0
CG B:HIS167 4.3 8.6 1.0
CZ2 B:TRP131 4.3 12.0 1.0
CB B:TRP165 4.4 5.3 1.0
OH B:TYR38 4.4 23.5 1.0
CG B:TRP165 4.6 6.7 1.0
NE2 B:GLN74 4.6 6.4 1.0
CD1 B:TRP165 4.9 7.1 1.0
CE2 B:TYR38 5.0 16.9 1.0
CH2 B:TRP131 5.0 9.6 1.0

Manganese binding site 3 out of 4 in 6cyl

Go back to Manganese Binding Sites List in 6cyl
Manganese binding site 3 out of 4 in the Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) 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 Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn301

b:8.9
occ:1.00
 OD2 C:ASP163 2.0 12.2 1.0
O C:HOH453 2.1 7.8 1.0
NE2 C:HIS30 2.1 11.2 1.0
NE2 C:HIS78 2.2 16.2 1.0
NE2 C:HIS167 2.3 11.2 1.0
O C:HOH454 2.5 23.0 1.0
CE1 C:HIS30 3.0 8.8 1.0
CE1 C:HIS78 3.1 13.7 1.0
CD2 C:HIS30 3.1 11.9 1.0
CG C:ASP163 3.1 9.6 1.0
CD2 C:HIS78 3.2 15.2 1.0
CE1 C:HIS167 3.2 10.4 1.0
CD2 C:HIS167 3.3 10.8 1.0
OD1 C:ASP163 3.7 8.5 1.0
ND1 C:HIS30 4.1 12.1 1.0
ND1 C:HIS78 4.2 15.3 1.0
CZ2 C:TRP131 4.2 9.3 1.0
CG C:HIS30 4.2 12.8 1.0
CG C:HIS78 4.3 15.8 1.0
CB C:ASP163 4.3 9.3 1.0
ND1 C:HIS167 4.4 9.9 1.0
CG C:HIS167 4.4 9.3 1.0
CB C:TRP165 4.5 7.7 1.0
NE2 C:GLN74 4.6 7.8 1.0
CG C:TRP165 4.7 7.3 1.0
CH2 C:TRP131 4.8 9.0 1.0
CD1 C:TRP165 4.9 7.5 1.0
OH C:TYR38 4.9 26.1 1.0
CE2 C:TRP131 5.0 8.3 1.0

Manganese binding site 4 out of 4 in 6cyl

Go back to Manganese Binding Sites List in 6cyl
Manganese binding site 4 out of 4 in the Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) 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 Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn301

b:11.1
occ:1.00
 OD2 D:ASP163 1.8 18.5 1.0
O D:HOH454 2.1 10.0 1.0
NE2 D:HIS30 2.2 18.6 1.0
NE2 D:HIS78 2.2 16.2 1.0
NE2 D:HIS167 2.3 14.6 1.0
CG D:ASP163 3.0 12.3 1.0
CE1 D:HIS78 3.1 15.4 1.0
CE1 D:HIS30 3.1 18.2 1.0
CD2 D:HIS30 3.2 19.7 1.0
CE1 D:HIS167 3.2 11.4 1.0
CD2 D:HIS78 3.2 16.8 1.0
CD2 D:HIS167 3.3 11.7 1.0
OD1 D:ASP163 3.6 17.4 1.0
CZ2 D:TRP131 4.0 15.0 1.0
CB D:ASP163 4.2 12.8 1.0
ND1 D:HIS78 4.2 16.7 1.0
ND1 D:HIS30 4.2 19.5 1.0
CG D:HIS30 4.3 18.5 1.0
CG D:HIS78 4.3 17.5 1.0
ND1 D:HIS167 4.4 12.1 1.0
CB D:TRP165 4.4 11.4 1.0
CG D:HIS167 4.4 12.2 1.0
CG D:TRP165 4.6 11.2 1.0
CH2 D:TRP131 4.6 17.9 1.0
NE2 D:GLN74 4.6 16.2 1.0
CE2 D:TRP131 4.7 14.5 1.0
CD1 D:TRP165 4.8 12.1 1.0
CE2 D:TYR38 4.9 20.2 1.0
NE1 D:TRP131 4.9 13.8 1.0

Reference:

E.Mendoza Rengifo, R.C.Garratt, H.M.Pereira, J.R.S.Ferreira Jr.. Crystal Structure of Mn Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei To Be Published.
Page generated: Sun Oct 6 04:01:13 2024

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