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Iron in PDB 6cyp: Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei

Enzymatic activity of Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei

All present enzymatic activity of Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei:
1.15.1.1;

Protein crystallography data

The structure of Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei, PDB code: 6cyp 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) 47.10 / 2.00
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.430, 75.130, 241.780, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 18.9

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei (pdb code 6cyp). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei, PDB code: 6cyp:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 6cyp

Go back to Iron Binding Sites List in 6cyp
Iron binding site 1 out of 6 in the Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:29.8
occ:1.00
O A:HOH443 2.0 25.5 1.0
OD2 A:ASP163 2.1 25.5 1.0
NE2 A:HIS30 2.1 24.6 1.0
NE2 A:HIS78 2.3 21.3 1.0
NE2 A:HIS167 2.3 25.6 1.0
CE1 A:HIS78 3.0 20.0 1.0
CE1 A:HIS30 3.0 21.3 1.0
HE1 A:HIS78 3.1 24.0 1.0
CD2 A:HIS30 3.1 20.1 1.0
HE1 A:HIS30 3.2 25.5 1.0
CG A:ASP163 3.2 21.4 1.0
CE1 A:HIS167 3.3 25.2 1.0
HD2 A:HIS30 3.3 24.1 1.0
CD2 A:HIS167 3.4 26.1 1.0
CD2 A:HIS78 3.4 21.4 1.0
HE1 A:HIS167 3.4 30.2 1.0
HE22 A:GLN149 3.4 26.5 1.0
HD2 A:HIS167 3.5 31.3 1.0
HZ2 A:TRP131 3.5 23.8 1.0
HD2 A:HIS78 3.6 25.6 1.0
OD1 A:ASP163 3.7 21.1 1.0
HB2 A:TRP165 3.7 23.7 1.0
ND1 A:HIS30 4.2 21.3 1.0
HE2 A:TYR38 4.2 29.1 1.0
CZ2 A:TRP131 4.2 19.8 1.0
HH A:TYR38 4.2 32.6 1.0
ND1 A:HIS78 4.2 20.6 1.0
CG A:HIS30 4.2 21.0 1.0
HB2 A:ALA168 4.2 25.2 1.0
NE2 A:GLN149 4.2 22.1 1.0
CG A:HIS78 4.4 20.9 1.0
ND1 A:HIS167 4.4 25.3 1.0
CB A:ASP163 4.4 21.6 1.0
HB2 A:ASP163 4.5 26.0 1.0
CG A:HIS167 4.5 24.7 1.0
CB A:TRP165 4.5 19.8 1.0
HE21 A:GLN149 4.6 26.5 1.0
CG A:TRP165 4.6 19.3 1.0
HB3 A:ASP163 4.7 26.0 1.0
HH2 A:TRP131 4.7 23.2 1.0
HB3 A:TRP165 4.7 23.7 1.0
HB3 A:HIS34 4.7 24.9 1.0
CH2 A:TRP131 4.8 19.3 1.0
CD1 A:TRP165 4.8 19.1 1.0
HE1 A:TRP131 4.8 24.5 1.0
HD1 A:HIS30 4.9 25.5 1.0
HD1 A:TRP165 4.9 22.9 1.0
HD1 A:HIS78 5.0 24.8 1.0
CE2 A:TRP131 5.0 19.9 1.0

Iron binding site 2 out of 6 in 6cyp

Go back to Iron Binding Sites List in 6cyp
Iron binding site 2 out of 6 in the Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:28.0
occ:1.00
O B:HOH429 2.0 21.8 1.0
OD2 B:ASP163 2.1 18.1 1.0
NE2 B:HIS30 2.1 20.4 1.0
NE2 B:HIS167 2.3 18.5 1.0
NE2 B:HIS78 2.3 13.9 1.0
CE1 B:HIS30 3.0 15.9 1.0
CE1 B:HIS78 3.1 14.2 1.0
HE1 B:HIS78 3.1 17.0 1.0
CD2 B:HIS30 3.1 15.1 1.0
CG B:ASP163 3.2 13.8 1.0
HE1 B:HIS30 3.2 19.1 1.0
CE1 B:HIS167 3.3 18.2 1.0
CD2 B:HIS167 3.3 18.0 1.0
HD2 B:HIS30 3.3 18.2 1.0
HE22 B:GLN149 3.4 16.7 1.0
HE1 B:HIS167 3.4 21.8 1.0
CD2 B:HIS78 3.4 14.8 1.0
HD2 B:HIS167 3.5 21.6 1.0
HZ2 B:TRP131 3.6 16.1 1.0
OD1 B:ASP163 3.7 13.1 1.0
HB2 B:TRP165 3.7 13.7 1.0
HD2 B:HIS78 3.7 17.8 1.0
ND1 B:HIS30 4.2 16.1 1.0
HH B:TYR38 4.2 29.9 1.0
HE2 B:TYR38 4.2 19.1 1.0
NE2 B:GLN149 4.2 13.9 1.0
CG B:HIS30 4.2 15.5 1.0
CZ2 B:TRP131 4.3 13.4 1.0
HB2 B:ALA168 4.3 18.5 1.0
ND1 B:HIS78 4.3 13.4 1.0
ND1 B:HIS167 4.4 18.0 1.0
CB B:ASP163 4.4 12.3 1.0
CG B:HIS167 4.5 17.6 1.0
CB B:TRP165 4.5 11.4 1.0
HB2 B:ASP163 4.5 14.7 1.0
CG B:HIS78 4.5 14.0 1.0
HE21 B:GLN149 4.5 16.7 1.0
CG B:TRP165 4.6 11.6 1.0
HB3 B:TRP165 4.7 13.7 1.0
HB3 B:ASP163 4.7 14.7 1.0
HB3 B:HIS34 4.8 20.0 1.0
HH2 B:TRP131 4.8 16.3 1.0
CD1 B:TRP165 4.8 13.4 1.0
HE1 B:TRP131 4.9 15.3 1.0
CH2 B:TRP131 4.9 13.6 1.0
HD1 B:TRP165 4.9 16.1 1.0
HD1 B:HIS30 4.9 19.4 1.0

Iron binding site 3 out of 6 in 6cyp

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Iron binding site 3 out of 6 in the Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe301

b:24.2
occ:1.00
O C:HOH461 2.0 16.9 1.0
OD2 C:ASP163 2.1 17.1 1.0
NE2 C:HIS30 2.2 15.8 1.0
NE2 C:HIS167 2.2 16.0 1.0
NE2 C:HIS78 2.4 14.1 1.0
O C:HOH475 2.5 31.9 1.0
CE1 C:HIS30 3.1 15.4 1.0
CE1 C:HIS167 3.2 16.3 1.0
CD2 C:HIS30 3.2 15.8 1.0
CE1 C:HIS78 3.2 13.4 1.0
CD2 C:HIS167 3.2 15.8 1.0
HE1 C:HIS78 3.2 16.1 1.0
CG C:ASP163 3.2 13.7 1.0
HE1 C:HIS30 3.2 18.5 1.0
HE1 C:HIS167 3.3 19.6 1.0
HD2 C:HIS167 3.4 19.0 1.0
HD2 C:HIS30 3.4 19.0 1.0
HE22 C:GLN149 3.5 17.2 1.0
CD2 C:HIS78 3.5 14.3 1.0
HB2 C:TRP165 3.6 14.1 1.0
OD1 C:ASP163 3.7 13.5 1.0
HZ2 C:TRP131 3.7 14.6 1.0
HD2 C:HIS78 3.8 17.1 1.0
ND1 C:HIS30 4.2 16.1 1.0
HE2 C:TYR38 4.2 24.3 1.0
HB2 C:ALA168 4.2 16.7 1.0
CG C:HIS30 4.3 15.5 1.0
ND1 C:HIS167 4.3 15.8 1.0
NE2 C:GLN149 4.3 14.3 1.0
CG C:HIS167 4.3 15.0 1.0
CZ2 C:TRP131 4.4 12.2 1.0
ND1 C:HIS78 4.4 14.0 1.0
CB C:TRP165 4.4 11.7 1.0
CB C:ASP163 4.5 15.5 1.0
CG C:TRP165 4.5 11.7 1.0
HB2 C:ASP163 4.5 18.6 1.0
CG C:HIS78 4.6 13.7 1.0
HE21 C:GLN149 4.6 17.2 1.0
HB3 C:TRP165 4.6 14.1 1.0
HB3 C:ASP163 4.7 18.6 1.0
HB3 C:HIS34 4.7 22.8 1.0
CD1 C:TRP165 4.8 11.7 1.0
HD1 C:TRP165 4.9 14.0 1.0
HE1 C:TRP131 4.9 14.1 1.0
HH2 C:TRP131 4.9 15.2 1.0
OH C:TYR38 4.9 28.7 1.0
HD1 C:HIS30 4.9 19.3 1.0
CD2 C:TRP165 5.0 12.1 1.0

Iron binding site 4 out of 6 in 6cyp

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Iron binding site 4 out of 6 in the Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe301

b:27.3
occ:1.00
O D:HOH434 2.0 24.8 1.0
OD2 D:ASP163 2.0 23.1 1.0
NE2 D:HIS30 2.2 23.2 1.0
NE2 D:HIS167 2.3 21.3 1.0
NE2 D:HIS78 2.4 18.9 1.0
CE1 D:HIS30 3.0 20.5 1.0
CG D:ASP163 3.1 20.2 1.0
HE1 D:HIS30 3.2 24.6 1.0
CE1 D:HIS78 3.2 18.9 1.0
HE1 D:HIS78 3.2 22.7 1.0
CD2 D:HIS30 3.2 20.3 1.0
CE1 D:HIS167 3.3 22.1 1.0
CD2 D:HIS167 3.3 21.4 1.0
HE1 D:HIS167 3.4 26.5 1.0
HD2 D:HIS30 3.4 24.3 1.0
HE22 D:GLN149 3.4 23.6 1.0
HD2 D:HIS167 3.5 25.6 1.0
CD2 D:HIS78 3.5 20.5 1.0
HZ2 D:TRP131 3.6 23.5 1.0
OD1 D:ASP163 3.6 18.2 1.0
HB2 D:TRP165 3.6 22.9 1.0
HD2 D:HIS78 3.8 24.6 1.0
ND1 D:HIS30 4.2 21.5 1.0
HB2 D:ALA168 4.2 24.9 1.0
HH D:TYR38 4.2 33.2 1.0
NE2 D:GLN149 4.2 19.6 1.0
HE2 D:TYR38 4.2 23.6 1.0
CZ2 D:TRP131 4.3 19.6 1.0
CG D:HIS30 4.3 21.5 1.0
ND1 D:HIS78 4.4 19.2 1.0
CB D:ASP163 4.4 19.6 1.0
HB2 D:ASP163 4.4 23.6 1.0
ND1 D:HIS167 4.4 20.9 1.0
CB D:TRP165 4.4 19.1 1.0
CG D:HIS167 4.5 20.9 1.0
CG D:TRP165 4.5 18.2 1.0
HE21 D:GLN149 4.5 23.6 1.0
CG D:HIS78 4.6 19.5 1.0
HB3 D:ASP163 4.6 23.6 1.0
HB3 D:TRP165 4.7 22.9 1.0
CD1 D:TRP165 4.7 18.2 1.0
HB3 D:HIS34 4.8 24.9 1.0
HH2 D:TRP131 4.8 22.4 1.0
HD1 D:TRP165 4.8 21.9 1.0
HE1 D:TRP131 4.8 23.6 1.0
CH2 D:TRP131 4.9 18.7 1.0
HD1 D:HIS30 4.9 25.8 1.0
CE2 D:TRP131 5.0 18.2 1.0

Iron binding site 5 out of 6 in 6cyp

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Iron binding site 5 out of 6 in the Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe301

b:27.9
occ:1.00
OD2 E:ASP163 2.1 20.5 1.0
O E:HOH460 2.1 23.3 1.0
NE2 E:HIS30 2.2 17.5 1.0
NE2 E:HIS167 2.4 19.7 1.0
NE2 E:HIS78 2.4 19.0 1.0
CE1 E:HIS30 3.1 18.0 1.0
CG E:ASP163 3.2 15.9 1.0
CD2 E:HIS30 3.2 18.4 1.0
CE1 E:HIS78 3.2 18.6 1.0
HE1 E:HIS78 3.3 22.3 1.0
HE1 E:HIS30 3.3 21.6 1.0
CE1 E:HIS167 3.3 20.3 1.0
HE1 E:HIS167 3.4 24.4 1.0
HD2 E:HIS30 3.4 22.0 1.0
CD2 E:HIS167 3.4 20.8 1.0
HE22 E:GLN149 3.4 22.3 1.0
CD2 E:HIS78 3.5 19.9 1.0
HD2 E:HIS167 3.6 25.0 1.0
HZ2 E:TRP131 3.6 20.6 1.0
OD1 E:ASP163 3.6 15.6 1.0
HB2 E:TRP165 3.6 18.5 1.0
HD2 E:HIS78 3.8 23.9 1.0
HH E:TYR38 4.1 37.9 1.0
HB2 E:ALA168 4.2 21.3 1.0
NE2 E:GLN149 4.2 18.5 1.0
ND1 E:HIS30 4.2 18.4 1.0
HE2 E:TYR38 4.2 30.6 1.0
CZ2 E:TRP131 4.3 17.1 1.0
CG E:HIS30 4.3 19.0 1.0
CB E:ASP163 4.4 15.9 1.0
ND1 E:HIS78 4.4 18.7 1.0
ND1 E:HIS167 4.4 20.2 1.0
CB E:TRP165 4.4 15.4 1.0
HB2 E:ASP163 4.5 19.1 1.0
CG E:TRP165 4.5 15.5 1.0
CG E:HIS167 4.5 20.7 1.0
HE21 E:GLN149 4.5 22.3 1.0
CG E:HIS78 4.6 19.8 1.0
HB3 E:ASP163 4.6 19.1 1.0
HB3 E:TRP165 4.7 18.5 1.0
CD1 E:TRP165 4.7 15.5 1.0
HB3 E:HIS34 4.7 28.2 1.0
HE1 E:TRP131 4.8 19.8 1.0
HD1 E:TRP165 4.8 18.6 1.0
HH2 E:TRP131 4.9 20.3 1.0
CH2 E:TRP131 5.0 16.9 1.0
CE2 E:TRP131 5.0 16.3 1.0
OH E:TYR38 5.0 31.6 1.0
HD1 E:HIS30 5.0 22.0 1.0
CD2 E:TRP165 5.0 16.3 1.0

Iron binding site 6 out of 6 in 6cyp

Go back to Iron Binding Sites List in 6cyp
Iron binding site 6 out of 6 in the Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure Analysis of the H75I Mutant of Superoxide Dismutase From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe301

b:29.9
occ:1.00
OD2 F:ASP163 2.0 25.7 1.0
O F:HOH546 2.1 27.0 1.0
NE2 F:HIS30 2.1 27.4 1.0
NE2 F:HIS167 2.2 27.8 1.0
NE2 F:HIS78 2.4 21.8 1.0
CE1 F:HIS30 3.0 23.8 1.0
HE1 F:HIS30 3.1 28.5 1.0
CD2 F:HIS30 3.1 24.1 1.0
CG F:ASP163 3.2 20.4 1.0
CE1 F:HIS167 3.2 30.0 1.0
CE1 F:HIS78 3.2 21.6 1.0
CD2 F:HIS167 3.2 28.1 1.0
HE1 F:HIS78 3.3 25.9 1.0
HD2 F:HIS30 3.4 28.9 1.0
HE1 F:HIS167 3.4 36.0 1.0
HD2 F:HIS167 3.4 33.7 1.0
CD2 F:HIS78 3.4 22.2 1.0
HE22 F:GLN149 3.5 25.8 1.0
HZ2 F:TRP131 3.6 22.8 1.0
HB2 F:TRP165 3.6 22.8 1.0
HD2 F:HIS78 3.7 26.6 1.0
OD1 F:ASP163 3.7 19.3 1.0
ND1 F:HIS30 4.1 24.4 1.0
HB2 F:ALA168 4.1 28.8 1.0
CG F:HIS30 4.2 24.7 1.0
CZ2 F:TRP131 4.2 19.0 1.0
HE2 F:TYR38 4.3 29.6 1.0
ND1 F:HIS167 4.3 27.8 1.0
NE2 F:GLN149 4.4 21.5 1.0
CG F:HIS167 4.4 26.5 1.0
CB F:TRP165 4.4 19.0 1.0
ND1 F:HIS78 4.4 21.6 1.0
HH F:TYR38 4.4 35.7 1.0
CB F:ASP163 4.4 19.6 1.0
HB2 F:ASP163 4.4 23.5 1.0
CG F:HIS78 4.5 22.1 1.0
CG F:TRP165 4.5 18.9 1.0
HB3 F:TRP165 4.6 22.8 1.0
HB3 F:ASP163 4.6 23.5 1.0
HE21 F:GLN149 4.7 25.8 1.0
HB3 F:HIS34 4.8 31.3 1.0
HH2 F:TRP131 4.8 23.2 1.0
CD1 F:TRP165 4.8 18.9 1.0
HD1 F:HIS30 4.8 29.4 1.0
HE1 F:TRP131 4.8 24.1 1.0
CH2 F:TRP131 4.9 19.4 1.0
HD1 F:TRP165 4.9 22.6 1.0

Reference:

E.Mendoza Rengifo, R.C.Garratt, J.R.S.Ferreira Jr.. Crystal Structure of Mn Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei To Be Published.
Page generated: Tue Aug 6 16:04:55 2024

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