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Iron in PDB 6fu3: Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae

Enzymatic activity of Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae

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

Protein crystallography data

The structure of Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae, PDB code: 6fu3 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) 64.26 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.942, 88.780, 93.122, 90.00, 90.00, 90.00
R / Rfree (%) 21.7 / 25.5

Other elements in 6fu3:

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

Calcium (Ca) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae (pdb code 6fu3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae, PDB code: 6fu3:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 6fu3

Go back to Iron Binding Sites List in 6fu3
Iron binding site 1 out of 4 in the Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:13.0
occ:1.00
FE A:HEC402 0.0 13.0 1.0
NB A:HEC402 2.0 12.1 1.0
NA A:HEC402 2.0 11.2 1.0
NE2 A:HIS59 2.0 12.3 1.0
ND A:HEC402 2.1 12.3 1.0
NC A:HEC402 2.1 12.2 1.0
O A:HOH633 2.2 11.6 1.0
C1B A:HEC402 2.9 11.5 1.0
C4A A:HEC402 2.9 10.5 1.0
C4B A:HEC402 3.0 11.6 1.0
C1A A:HEC402 3.0 10.4 1.0
C4D A:HEC402 3.0 11.4 1.0
CE1 A:HIS59 3.0 11.9 1.0
CD2 A:HIS59 3.0 12.1 1.0
C1D A:HEC402 3.1 12.8 1.0
C1C A:HEC402 3.1 11.2 1.0
C4C A:HEC402 3.1 10.9 1.0
CHB A:HEC402 3.2 11.0 1.0
CHA A:HEC402 3.3 10.9 1.0
CHC A:HEC402 3.3 11.3 1.0
CHD A:HEC402 3.4 12.7 1.0
O A:HOH532 3.9 24.7 1.0
C2B A:HEC402 4.0 11.1 1.0
C3A A:HEC402 4.1 10.8 1.0
C3B A:HEC402 4.1 11.3 1.0
NE2 A:GLN108 4.1 11.1 1.0
C2A A:HEC402 4.1 10.9 1.0
ND1 A:HIS59 4.1 11.1 1.0
C3D A:HEC402 4.1 12.7 1.0
C2D A:HEC402 4.1 12.2 1.0
CG A:HIS59 4.2 11.1 1.0
C2C A:HEC402 4.2 11.1 1.0
C3C A:HEC402 4.2 11.6 1.0
CG A:PRO112 4.6 11.5 1.0
CB A:PRO112 4.9 11.8 1.0
OE1 A:GLU118 4.9 28.8 1.0
CD A:GLN108 5.0 11.4 1.0

Iron binding site 2 out of 4 in 6fu3

Go back to Iron Binding Sites List in 6fu3
Iron binding site 2 out of 4 in the Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe403

b:16.5
occ:1.00
FE A:HEC403 0.0 16.5 1.0
NC A:HEC403 2.0 14.8 1.0
NB A:HEC403 2.0 15.5 1.0
ND A:HEC403 2.0 13.8 1.0
NE2 A:HIS204 2.1 14.8 1.0
NA A:HEC403 2.1 12.6 1.0
SD A:MET280 2.3 16.4 1.0
C1D A:HEC403 3.0 14.0 1.0
C4C A:HEC403 3.0 15.4 1.0
C1B A:HEC403 3.0 14.4 1.0
CD2 A:HIS204 3.0 15.4 1.0
C1C A:HEC403 3.0 14.8 1.0
C4B A:HEC403 3.0 14.9 1.0
C4A A:HEC403 3.0 13.5 1.0
C4D A:HEC403 3.1 14.3 1.0
C1A A:HEC403 3.1 12.6 1.0
CE1 A:HIS204 3.1 14.2 1.0
CHD A:HEC403 3.3 14.5 1.0
CHB A:HEC403 3.3 13.8 1.0
CHC A:HEC403 3.3 14.1 1.0
CG A:MET280 3.4 16.2 1.0
CHA A:HEC403 3.4 12.4 1.0
CE A:MET280 3.5 16.7 1.0
C2D A:HEC403 4.1 14.4 1.0
C2B A:HEC403 4.1 15.9 1.0
C3C A:HEC403 4.1 15.1 1.0
C2C A:HEC403 4.1 14.5 1.0
C3D A:HEC403 4.1 14.5 1.0
C3B A:HEC403 4.2 15.1 1.0
C3A A:HEC403 4.2 13.5 1.0
CG A:HIS204 4.2 14.8 1.0
C2A A:HEC403 4.2 13.4 1.0
ND1 A:HIS204 4.2 14.1 1.0
CB A:MET280 4.2 16.9 1.0
CG A:GLN284 4.9 20.4 1.0

Iron binding site 3 out of 4 in 6fu3

Go back to Iron Binding Sites List in 6fu3
Iron binding site 3 out of 4 in the Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:13.9
occ:1.00
FE B:HEC402 0.0 13.9 1.0
NE2 B:HIS59 1.9 11.5 1.0
NA B:HEC402 2.0 13.5 1.0
ND B:HEC402 2.0 13.8 1.0
NC B:HEC402 2.1 14.0 1.0
NB B:HEC402 2.1 12.9 1.0
O B:HOH635 2.1 12.7 1.0
CE1 B:HIS59 2.9 12.0 1.0
C1D B:HEC402 3.0 14.1 1.0
CD2 B:HIS59 3.0 11.7 1.0
C4D B:HEC402 3.0 13.4 1.0
C4C B:HEC402 3.0 13.3 1.0
C4A B:HEC402 3.0 12.2 1.0
C1A B:HEC402 3.0 12.6 1.0
C4B B:HEC402 3.1 12.8 1.0
C1B B:HEC402 3.1 13.7 1.0
C1C B:HEC402 3.1 11.9 1.0
CHD B:HEC402 3.3 13.6 1.0
CHB B:HEC402 3.4 13.3 1.0
CHA B:HEC402 3.4 12.0 1.0
CHC B:HEC402 3.5 11.8 1.0
ND1 B:HIS59 4.0 11.4 1.0
CG B:HIS59 4.1 11.7 1.0
NE2 B:GLN108 4.1 14.8 1.0
C2D B:HEC402 4.3 13.4 1.0
C3B B:HEC402 4.3 13.0 1.0
C3D B:HEC402 4.3 13.3 1.0
C3C B:HEC402 4.3 12.6 1.0
C2A B:HEC402 4.3 11.5 1.0
C3A B:HEC402 4.4 12.0 1.0
C2B B:HEC402 4.4 12.2 1.0
O B:HOH591 4.4 22.9 1.0
C2C B:HEC402 4.4 11.9 1.0
OE1 B:GLU118 4.6 21.1 1.0
CG B:PRO112 4.7 13.4 1.0
CB B:PRO112 4.9 14.4 1.0

Iron binding site 4 out of 4 in 6fu3

Go back to Iron Binding Sites List in 6fu3
Iron binding site 4 out of 4 in the Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe403

b:15.1
occ:1.00
FE B:HEC403 0.0 15.1 1.0
ND B:HEC403 2.0 12.3 1.0
NB B:HEC403 2.0 14.0 1.0
NA B:HEC403 2.1 12.8 1.0
NC B:HEC403 2.1 15.2 1.0
NE2 B:HIS204 2.1 15.4 1.0
SD B:MET280 2.3 14.1 1.0
C4D B:HEC403 3.0 12.4 1.0
C4B B:HEC403 3.0 14.1 1.0
CD2 B:HIS204 3.0 15.3 1.0
C4A B:HEC403 3.1 12.2 1.0
C1D B:HEC403 3.1 13.6 1.0
C1A B:HEC403 3.1 11.5 1.0
C1C B:HEC403 3.1 13.5 1.0
C4C B:HEC403 3.1 13.6 1.0
C1B B:HEC403 3.1 14.9 1.0
CE1 B:HIS204 3.2 14.1 1.0
CHA B:HEC403 3.3 10.5 1.0
CG B:MET280 3.4 13.6 1.0
CHB B:HEC403 3.4 12.7 1.0
CHC B:HEC403 3.4 13.2 1.0
CE B:MET280 3.4 13.7 1.0
CHD B:HEC403 3.5 12.5 1.0
CG B:HIS204 4.2 14.8 1.0
ND1 B:HIS204 4.3 14.2 1.0
C3D B:HEC403 4.3 12.3 1.0
CB B:MET280 4.3 14.3 1.0
C3B B:HEC403 4.3 13.6 1.0
C2D B:HEC403 4.3 12.3 1.0
C3C B:HEC403 4.4 14.7 1.0
C3A B:HEC403 4.4 11.6 1.0
C2A B:HEC403 4.4 12.0 1.0
C2C B:HEC403 4.4 13.9 1.0
C2B B:HEC403 4.4 13.3 1.0
CG B:GLN284 4.9 15.7 1.0

Reference:

A.L.Carvalho, M.J.Romao, S.Pauleta, C.Nobrega. Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae To Be Published.
Page generated: Tue Aug 6 18:39:48 2024

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