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Iron in PDB 1atj: Recombinant Horseradish Peroxidase C1A

Enzymatic activity of Recombinant Horseradish Peroxidase C1A

All present enzymatic activity of Recombinant Horseradish Peroxidase C1A:
1.11.1.7;

Protein crystallography data

The structure of Recombinant Horseradish Peroxidase C1A, PDB code: 1atj was solved by M.Gajhede, D.J.Schuller, A.Henriksen, A.T.Smith, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 100.00 / 2.15
Space group P 31 1 2
Cell size a, b, c (Å), α, β, γ (°) 159.170, 159.170, 114.270, 90.00, 90.00, 120.00
R / Rfree (%) 22.2 / 24.2

Other elements in 1atj:

The structure of Recombinant Horseradish Peroxidase C1A also contains other interesting chemical elements:

Calcium (Ca) 12 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Recombinant Horseradish Peroxidase C1A (pdb code 1atj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Recombinant Horseradish Peroxidase C1A, PDB code: 1atj:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 1atj

Go back to Iron Binding Sites List in 1atj
Iron binding site 1 out of 6 in the Recombinant Horseradish Peroxidase C1A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe350

b:20.0
occ:1.00
FE A:HEM350 0.0 20.0 1.0
NA A:HEM350 1.9 16.9 1.0
NC A:HEM350 2.0 14.9 1.0
ND A:HEM350 2.0 14.8 1.0
NB A:HEM350 2.0 18.1 1.0
NE2 A:HIS170 2.2 17.6 1.0
C4A A:HEM350 2.9 17.3 1.0
C4C A:HEM350 3.0 14.8 1.0
C1D A:HEM350 3.0 14.6 1.0
CE1 A:HIS170 3.1 16.9 1.0
C1C A:HEM350 3.1 14.0 1.0
C1B A:HEM350 3.1 15.9 1.0
C1A A:HEM350 3.1 16.9 1.0
C4B A:HEM350 3.1 17.4 1.0
C4D A:HEM350 3.1 13.9 1.0
CD2 A:HIS170 3.2 17.1 1.0
O A:HOH440 3.2 26.8 1.0
CHD A:HEM350 3.4 14.2 1.0
CHB A:HEM350 3.4 16.6 1.0
CHC A:HEM350 3.5 15.7 1.0
CHA A:HEM350 3.6 14.6 1.0
HE A:ARG38 3.9 0.0 1.0
C3A A:HEM350 4.2 17.3 1.0
ND1 A:HIS170 4.2 19.1 1.0
C3C A:HEM350 4.3 13.9 1.0
C2A A:HEM350 4.3 17.8 1.0
C2C A:HEM350 4.3 13.4 1.0
CG A:HIS170 4.3 18.8 1.0
C2D A:HEM350 4.3 12.9 1.0
C2B A:HEM350 4.3 15.6 1.0
C3D A:HEM350 4.3 13.1 1.0
C3B A:HEM350 4.3 16.9 1.0
CE2 A:PHE41 4.5 10.7 1.0
NE A:ARG38 4.6 19.5 1.0
CZ A:PHE221 4.8 21.4 1.0
CD2 A:PHE41 4.9 12.0 1.0
CG A:ARG38 4.9 15.8 1.0
O A:HOH470 4.9 38.7 1.0
CD A:ARG38 4.9 17.2 1.0

Iron binding site 2 out of 6 in 1atj

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Iron binding site 2 out of 6 in the Recombinant Horseradish Peroxidase C1A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe350

b:20.0
occ:1.00
FE B:HEM350 0.0 20.0 1.0
NA B:HEM350 1.9 16.9 1.0
NC B:HEM350 2.0 14.9 1.0
ND B:HEM350 2.0 14.8 1.0
NB B:HEM350 2.0 18.1 1.0
NE2 B:HIS170 2.2 17.6 1.0
C4A B:HEM350 2.9 17.3 1.0
C4C B:HEM350 3.0 14.8 1.0
C1D B:HEM350 3.0 14.6 1.0
CE1 B:HIS170 3.1 16.9 1.0
C1C B:HEM350 3.1 14.0 1.0
C1B B:HEM350 3.1 15.9 1.0
C1A B:HEM350 3.1 16.9 1.0
C4B B:HEM350 3.1 17.4 1.0
C4D B:HEM350 3.1 13.9 1.0
CD2 B:HIS170 3.2 17.1 1.0
O B:HOH444 3.2 26.8 1.0
CHD B:HEM350 3.4 14.2 1.0
CHB B:HEM350 3.4 16.6 1.0
CHC B:HEM350 3.5 15.7 1.0
CHA B:HEM350 3.6 14.6 1.0
HE B:ARG38 3.9 0.0 1.0
C3A B:HEM350 4.2 17.3 1.0
ND1 B:HIS170 4.2 19.1 1.0
C3C B:HEM350 4.3 13.9 1.0
C2A B:HEM350 4.3 17.8 1.0
C2C B:HEM350 4.3 13.4 1.0
CG B:HIS170 4.3 18.8 1.0
C2D B:HEM350 4.3 12.9 1.0
C2B B:HEM350 4.3 15.6 1.0
C3D B:HEM350 4.3 13.1 1.0
C3B B:HEM350 4.3 16.9 1.0
CE2 B:PHE41 4.5 10.7 1.0
NE B:ARG38 4.6 19.5 1.0
CZ B:PHE221 4.8 21.4 1.0
CD2 B:PHE41 4.9 12.0 1.0
CG B:ARG38 4.9 15.8 1.0
O B:HOH474 4.9 38.7 1.0
CD B:ARG38 4.9 17.2 1.0

Iron binding site 3 out of 6 in 1atj

Go back to Iron Binding Sites List in 1atj
Iron binding site 3 out of 6 in the Recombinant Horseradish Peroxidase C1A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe350

b:20.0
occ:1.00
FE C:HEM350 0.0 20.0 1.0
NA C:HEM350 1.9 16.9 1.0
NC C:HEM350 2.0 14.9 1.0
ND C:HEM350 2.0 14.8 1.0
NB C:HEM350 2.0 18.1 1.0
NE2 C:HIS170 2.2 17.6 1.0
C4A C:HEM350 2.9 17.3 1.0
C4C C:HEM350 3.0 14.8 1.0
C1D C:HEM350 3.0 14.6 1.0
CE1 C:HIS170 3.1 16.9 1.0
C1C C:HEM350 3.1 14.0 1.0
C1B C:HEM350 3.1 15.9 1.0
C1A C:HEM350 3.1 16.9 1.0
C4B C:HEM350 3.1 17.4 1.0
C4D C:HEM350 3.1 13.9 1.0
CD2 C:HIS170 3.2 17.1 1.0
O C:HOH443 3.2 26.8 1.0
CHD C:HEM350 3.4 14.2 1.0
CHB C:HEM350 3.4 16.6 1.0
CHC C:HEM350 3.5 15.7 1.0
CHA C:HEM350 3.6 14.6 1.0
HE C:ARG38 3.9 0.0 1.0
C3A C:HEM350 4.2 17.3 1.0
ND1 C:HIS170 4.2 19.1 1.0
C3C C:HEM350 4.3 13.9 1.0
C2A C:HEM350 4.3 17.8 1.0
C2C C:HEM350 4.3 13.4 1.0
CG C:HIS170 4.3 18.8 1.0
C2D C:HEM350 4.3 12.9 1.0
C2B C:HEM350 4.3 15.6 1.0
C3D C:HEM350 4.3 13.1 1.0
C3B C:HEM350 4.3 16.9 1.0
CE2 C:PHE41 4.5 10.7 1.0
NE C:ARG38 4.6 19.5 1.0
CZ C:PHE221 4.8 21.4 1.0
CD2 C:PHE41 4.9 12.0 1.0
CG C:ARG38 4.9 15.8 1.0
O C:HOH474 4.9 38.7 1.0
CD C:ARG38 4.9 17.2 1.0

Iron binding site 4 out of 6 in 1atj

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Iron binding site 4 out of 6 in the Recombinant Horseradish Peroxidase C1A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe350

b:20.0
occ:1.00
FE D:HEM350 0.0 20.0 1.0
NA D:HEM350 1.9 16.9 1.0
NC D:HEM350 2.0 14.9 1.0
ND D:HEM350 2.0 14.8 1.0
NB D:HEM350 2.0 18.1 1.0
NE2 D:HIS170 2.2 17.6 1.0
C4A D:HEM350 2.9 17.3 1.0
C4C D:HEM350 3.0 14.8 1.0
C1D D:HEM350 3.0 14.6 1.0
CE1 D:HIS170 3.1 16.9 1.0
C1C D:HEM350 3.1 14.0 1.0
C1B D:HEM350 3.1 15.9 1.0
C1A D:HEM350 3.1 16.9 1.0
C4B D:HEM350 3.1 17.4 1.0
C4D D:HEM350 3.1 13.9 1.0
CD2 D:HIS170 3.2 17.1 1.0
O D:HOH443 3.2 26.8 1.0
CHD D:HEM350 3.4 14.2 1.0
CHB D:HEM350 3.4 16.6 1.0
CHC D:HEM350 3.5 15.7 1.0
CHA D:HEM350 3.6 14.6 1.0
HE D:ARG38 3.9 0.0 1.0
C3A D:HEM350 4.2 17.3 1.0
ND1 D:HIS170 4.2 19.1 1.0
C3C D:HEM350 4.3 13.9 1.0
C2A D:HEM350 4.3 17.8 1.0
C2C D:HEM350 4.3 13.4 1.0
CG D:HIS170 4.3 18.8 1.0
C2D D:HEM350 4.3 12.9 1.0
C2B D:HEM350 4.3 15.6 1.0
C3D D:HEM350 4.3 13.1 1.0
C3B D:HEM350 4.3 16.9 1.0
CE2 D:PHE41 4.5 10.7 1.0
NE D:ARG38 4.6 19.5 1.0
CZ D:PHE221 4.8 21.4 1.0
CD2 D:PHE41 4.9 12.0 1.0
CG D:ARG38 4.9 15.8 1.0
O D:HOH474 4.9 38.7 1.0
CD D:ARG38 4.9 17.2 1.0

Iron binding site 5 out of 6 in 1atj

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Iron binding site 5 out of 6 in the Recombinant Horseradish Peroxidase C1A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe350

b:20.0
occ:1.00
FE E:HEM350 0.0 20.0 1.0
NA E:HEM350 1.9 16.9 1.0
NC E:HEM350 2.0 14.9 1.0
ND E:HEM350 2.0 14.8 1.0
NB E:HEM350 2.0 18.1 1.0
NE2 E:HIS170 2.2 17.6 1.0
C4A E:HEM350 2.9 17.3 1.0
C4C E:HEM350 3.0 14.8 1.0
C1D E:HEM350 3.0 14.6 1.0
CE1 E:HIS170 3.1 16.9 1.0
C1C E:HEM350 3.1 14.0 1.0
C1B E:HEM350 3.1 15.9 1.0
C1A E:HEM350 3.1 16.9 1.0
C4B E:HEM350 3.1 17.4 1.0
C4D E:HEM350 3.1 13.9 1.0
CD2 E:HIS170 3.2 17.1 1.0
O E:HOH444 3.2 26.8 1.0
CHD E:HEM350 3.4 14.2 1.0
CHB E:HEM350 3.4 16.6 1.0
CHC E:HEM350 3.5 15.7 1.0
CHA E:HEM350 3.6 14.6 1.0
HE E:ARG38 3.9 0.0 1.0
C3A E:HEM350 4.2 17.3 1.0
ND1 E:HIS170 4.2 19.1 1.0
C3C E:HEM350 4.3 13.9 1.0
C2A E:HEM350 4.3 17.8 1.0
C2C E:HEM350 4.3 13.4 1.0
CG E:HIS170 4.3 18.8 1.0
C2D E:HEM350 4.3 12.9 1.0
C2B E:HEM350 4.3 15.6 1.0
C3D E:HEM350 4.3 13.1 1.0
C3B E:HEM350 4.3 16.9 1.0
CE2 E:PHE41 4.5 10.7 1.0
NE E:ARG38 4.6 19.5 1.0
CZ E:PHE221 4.8 21.4 1.0
CD2 E:PHE41 4.9 12.0 1.0
CG E:ARG38 4.9 15.8 1.0
O E:HOH472 4.9 38.7 1.0
CD E:ARG38 4.9 17.2 1.0

Iron binding site 6 out of 6 in 1atj

Go back to Iron Binding Sites List in 1atj
Iron binding site 6 out of 6 in the Recombinant Horseradish Peroxidase C1A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe350

b:20.0
occ:1.00
FE F:HEM350 0.0 20.0 1.0
NA F:HEM350 1.9 16.9 1.0
NC F:HEM350 2.0 14.9 1.0
ND F:HEM350 2.0 14.8 1.0
NB F:HEM350 2.0 18.1 1.0
NE2 F:HIS170 2.2 17.6 1.0
C4A F:HEM350 2.9 17.3 1.0
C4C F:HEM350 3.0 14.8 1.0
C1D F:HEM350 3.0 14.6 1.0
CE1 F:HIS170 3.1 16.9 1.0
C1C F:HEM350 3.1 14.0 1.0
C1B F:HEM350 3.1 15.9 1.0
C1A F:HEM350 3.1 16.9 1.0
C4B F:HEM350 3.1 17.4 1.0
C4D F:HEM350 3.1 13.9 1.0
CD2 F:HIS170 3.2 17.1 1.0
O F:HOH442 3.2 26.8 1.0
CHD F:HEM350 3.4 14.2 1.0
CHB F:HEM350 3.4 16.6 1.0
CHC F:HEM350 3.5 15.7 1.0
CHA F:HEM350 3.6 14.6 1.0
HE F:ARG38 3.9 0.0 1.0
C3A F:HEM350 4.2 17.3 1.0
ND1 F:HIS170 4.2 19.1 1.0
C3C F:HEM350 4.3 13.9 1.0
C2A F:HEM350 4.3 17.8 1.0
C2C F:HEM350 4.3 13.4 1.0
CG F:HIS170 4.3 18.8 1.0
C2D F:HEM350 4.3 12.9 1.0
C2B F:HEM350 4.3 15.6 1.0
C3D F:HEM350 4.3 13.1 1.0
C3B F:HEM350 4.3 16.9 1.0
CE2 F:PHE41 4.5 10.7 1.0
NE F:ARG38 4.6 19.5 1.0
CZ F:PHE221 4.8 21.4 1.0
CD2 F:PHE41 4.9 12.0 1.0
CG F:ARG38 4.9 15.8 1.0
O F:HOH473 4.9 38.7 1.0
CD F:ARG38 4.9 17.2 1.0

Reference:

M.Gajhede, D.J.Schuller, A.Henriksen, A.T.Smith, T.L.Poulos. Crystal Structure of Horseradish Peroxidase C at 2.15 A Resolution. Nat.Struct.Biol. V. 4 1032 1997.
ISSN: ISSN 1072-8368
PubMed: 9406554
DOI: 10.1038/NSB1297-1032
Page generated: Sun Dec 13 14:06:02 2020

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