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Iron in PDB 7zs8: Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution

Enzymatic activity of Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution

All present enzymatic activity of Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution:
1.11.1.5;

Protein crystallography data

The structure of Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution, PDB code: 7zs8 was solved by A.L.Carvalho, M.J.Romao, S.Pauleta, C.Nobrega, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.95 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.842, 89.144, 89.731, 90, 90, 90
R / Rfree (%) 19.6 / 22.1

Other elements in 7zs8:

The structure of Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution also contains other interesting chemical elements:

Sodium (Na) 2 atoms
Calcium (Ca) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution (pdb code 7zs8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution, PDB code: 7zs8:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 7zs8

Go back to Iron Binding Sites List in 7zs8
Iron binding site 1 out of 4 in the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:11.5
occ:1.00
FE A:HEC401 0.0 11.5 1.0
ND A:HEC401 2.0 10.5 1.0
NA A:HEC401 2.0 11.9 1.0
NE2 A:HIS59 2.0 10.3 1.0
NC A:HEC401 2.0 12.5 1.0
NB A:HEC401 2.0 10.1 1.0
O A:HOH569 2.1 15.4 1.0
CE1 A:HIS59 3.0 11.4 1.0
C4D A:HEC401 3.0 12.8 1.0
C1A A:HEC401 3.0 11.4 1.0
C1C A:HEC401 3.0 9.9 1.0
CD2 A:HIS59 3.0 11.5 1.0
C1D A:HEC401 3.0 12.6 1.0
C4B A:HEC401 3.0 10.0 1.0
C4C A:HEC401 3.0 10.9 1.0
C4A A:HEC401 3.1 11.1 1.0
C1B A:HEC401 3.1 11.9 1.0
CHA A:HEC401 3.3 11.1 1.0
CHD A:HEC401 3.4 12.1 1.0
CHC A:HEC401 3.4 10.8 1.0
CHB A:HEC401 3.4 11.0 1.0
O A:HOH578 4.0 21.2 1.0
NE2 A:GLN108 4.1 11.9 1.0
ND1 A:HIS59 4.1 10.8 1.0
CG A:HIS59 4.1 11.2 1.0
C2C A:HEC401 4.3 11.0 1.0
C2D A:HEC401 4.3 13.4 1.0
C2A A:HEC401 4.3 12.2 1.0
C3D A:HEC401 4.3 13.1 1.0
C3C A:HEC401 4.3 11.0 1.0
C3B A:HEC401 4.3 11.2 1.0
C3A A:HEC401 4.3 11.1 1.0
C2B A:HEC401 4.4 10.4 1.0
CG A:PRO112 4.6 12.6 1.0
CB A:PRO112 4.8 12.7 1.0

Iron binding site 2 out of 4 in 7zs8

Go back to Iron Binding Sites List in 7zs8
Iron binding site 2 out of 4 in the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:14.8
occ:1.00
FE A:HEC402 0.0 14.8 1.0
NE2 A:HIS204 2.0 13.2 1.0
ND A:HEC402 2.0 13.3 1.0
NA A:HEC402 2.0 14.8 1.0
NB A:HEC402 2.1 15.9 1.0
NC A:HEC402 2.1 14.9 1.0
SD A:MET280 2.3 18.1 1.0
CE1 A:HIS204 3.0 13.5 1.0
CD2 A:HIS204 3.0 14.2 1.0
C1D A:HEC402 3.0 14.1 1.0
C1B A:HEC402 3.0 15.2 1.0
C1A A:HEC402 3.0 13.5 1.0
C4D A:HEC402 3.0 13.5 1.0
C4A A:HEC402 3.0 15.3 1.0
C1C A:HEC402 3.1 15.2 1.0
C4C A:HEC402 3.1 16.0 1.0
C4B A:HEC402 3.1 14.6 1.0
CHA A:HEC402 3.4 15.3 1.0
CHB A:HEC402 3.4 15.9 1.0
CHD A:HEC402 3.4 15.3 1.0
CHC A:HEC402 3.4 15.0 1.0
CG A:MET280 3.4 19.8 1.0
CE A:MET280 3.5 16.4 1.0
ND1 A:HIS204 4.1 13.6 1.0
CG A:HIS204 4.2 13.1 1.0
C2D A:HEC402 4.3 14.4 1.0
CB A:MET280 4.3 17.3 1.0
C3D A:HEC402 4.3 15.0 1.0
C2A A:HEC402 4.3 13.1 1.0
C3B A:HEC402 4.3 15.8 1.0
C3A A:HEC402 4.3 14.8 1.0
C2B A:HEC402 4.4 16.1 1.0
C3C A:HEC402 4.4 16.0 1.0
C2C A:HEC402 4.4 16.5 1.0
CG A:GLN284 5.0 19.6 1.0

Iron binding site 3 out of 4 in 7zs8

Go back to Iron Binding Sites List in 7zs8
Iron binding site 3 out of 4 in the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:11.2
occ:1.00
FE B:HEC401 0.0 11.2 1.0
NE2 B:HIS59 2.0 10.4 1.0
NA B:HEC401 2.0 10.7 1.0
NC B:HEC401 2.0 11.2 1.0
NB B:HEC401 2.0 9.5 1.0
ND B:HEC401 2.0 9.7 1.0
O B:HOH571 2.1 13.8 1.0
CE1 B:HIS59 3.0 10.3 1.0
C1C B:HEC401 3.0 9.2 1.0
C1A B:HEC401 3.0 11.5 1.0
C4D B:HEC401 3.0 10.2 1.0
C4C B:HEC401 3.0 11.0 1.0
CD2 B:HIS59 3.0 11.5 1.0
C4A B:HEC401 3.0 11.2 1.0
C1D B:HEC401 3.0 10.4 1.0
C4B B:HEC401 3.0 9.2 1.0
C1B B:HEC401 3.0 10.6 1.0
CHB B:HEC401 3.4 10.6 1.0
CHA B:HEC401 3.4 11.4 1.0
CHC B:HEC401 3.4 11.4 1.0
CHD B:HEC401 3.4 11.8 1.0
OE1 B:GLN108 4.1 15.3 1.0
ND1 B:HIS59 4.1 9.1 1.0
CG B:HIS59 4.1 9.5 1.0
C3C B:HEC401 4.3 11.8 1.0
C2D B:HEC401 4.3 11.5 1.0
C2C B:HEC401 4.3 11.7 1.0
O B:HOH540 4.3 25.6 1.0
C3A B:HEC401 4.3 10.8 1.0
C3D B:HEC401 4.3 11.1 1.0
C3B B:HEC401 4.3 10.7 1.0
C2A B:HEC401 4.3 11.1 1.0
C2B B:HEC401 4.3 10.1 1.0
CG B:PRO112 4.7 13.4 1.0
OE1 B:GLU118 4.8 26.6 1.0
CB B:PRO112 4.9 13.4 1.0
CD B:GLN108 5.0 13.4 1.0

Iron binding site 4 out of 4 in 7zs8

Go back to Iron Binding Sites List in 7zs8
Iron binding site 4 out of 4 in the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae at 1.4 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:12.4
occ:1.00
FE B:HEC402 0.0 12.4 1.0
NA B:HEC402 2.0 11.2 1.0
NB B:HEC402 2.0 12.5 1.0
ND B:HEC402 2.0 11.7 1.0
NC B:HEC402 2.1 11.7 1.0
NE2 B:HIS204 2.1 12.7 1.0
SD B:MET280 2.4 15.5 1.0
C1A B:HEC402 3.0 11.1 1.0
C4D B:HEC402 3.0 10.9 1.0
CD2 B:HIS204 3.0 11.6 1.0
C4A B:HEC402 3.0 11.5 1.0
C1D B:HEC402 3.0 12.9 1.0
C1B B:HEC402 3.1 12.5 1.0
C4C B:HEC402 3.1 13.0 1.0
C4B B:HEC402 3.1 13.2 1.0
C1C B:HEC402 3.1 14.1 1.0
CE1 B:HIS204 3.1 12.0 1.0
CHA B:HEC402 3.4 12.7 1.0
CE B:MET280 3.4 13.3 1.0
CHB B:HEC402 3.4 12.4 1.0
CG B:MET280 3.4 16.4 1.0
CHD B:HEC402 3.4 12.9 1.0
CHC B:HEC402 3.5 13.1 1.0
ND1 B:HIS204 4.2 12.6 1.0
CG B:HIS204 4.2 12.5 1.0
CB B:MET280 4.3 15.5 1.0
C2A B:HEC402 4.3 12.2 1.0
C3A B:HEC402 4.3 11.6 1.0
C2D B:HEC402 4.3 12.9 1.0
C3D B:HEC402 4.3 12.2 1.0
C3C B:HEC402 4.3 13.6 1.0
C2C B:HEC402 4.3 14.2 1.0
C2B B:HEC402 4.3 13.1 1.0
C3B B:HEC402 4.4 13.3 1.0
CG B:GLN284 4.9 13.3 1.0

Reference:

C.S.Nobrega, A.L.Carvalho, M.J.Romao, S.R.Pauleta. Structural Characterization of Neisseria Gonorrhoeae Bacterial Peroxidase - Insights Into the Catalytic Cycle of Bacterial Peroxidases Int J Mol Sci 2023.
ISSN: ESSN 1422-0067
DOI: 10.3390/IJMS24076246
Page generated: Fri Aug 9 15:20:08 2024

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