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Iron in PDB 4o1w: Crystal Structure of Colwellia Psychrerythraea Cytochrome C

Protein crystallography data

The structure of Crystal Structure of Colwellia Psychrerythraea Cytochrome C, PDB code: 4o1w was solved by P.B.Harvilla, H.N.Wolcott, J.S.Magyar, L.S.Shapiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.95 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 130.280, 45.043, 87.574, 90.00, 90.85, 90.00
R / Rfree (%) 17 / 21.7

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Colwellia Psychrerythraea Cytochrome C (pdb code 4o1w). 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 of Colwellia Psychrerythraea Cytochrome C, PDB code: 4o1w:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 4o1w

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Iron binding site 1 out of 6 in the Crystal Structure of Colwellia Psychrerythraea Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Colwellia Psychrerythraea Cytochrome C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:12.8
occ:1.00
FE A:HEM101 0.0 12.8 1.0
NE2 A:HIS18 1.9 15.6 1.0
NB A:HEM101 1.9 13.2 1.0
NC A:HEM101 2.0 16.1 1.0
NA A:HEM101 2.0 14.8 1.0
ND A:HEM101 2.1 16.5 1.0
SD A:MET57 2.3 16.0 1.0
CE1 A:HIS18 2.8 18.4 1.0
C4B A:HEM101 2.9 16.6 1.0
C1B A:HEM101 3.0 14.8 1.0
C4C A:HEM101 3.0 13.2 1.0
C4A A:HEM101 3.0 15.0 1.0
C1C A:HEM101 3.0 16.4 1.0
C1A A:HEM101 3.1 15.2 1.0
CD2 A:HIS18 3.1 15.0 1.0
C1D A:HEM101 3.1 17.3 1.0
C4D A:HEM101 3.1 16.4 1.0
CHC A:HEM101 3.4 14.5 1.0
CHB A:HEM101 3.4 12.2 1.0
CHD A:HEM101 3.4 16.4 1.0
CG A:MET57 3.4 12.0 1.0
CE A:MET57 3.4 15.6 1.0
CHA A:HEM101 3.5 15.9 1.0
ND1 A:HIS18 3.9 16.9 1.0
CG A:HIS18 4.1 16.3 1.0
C3B A:HEM101 4.2 14.9 1.0
C2B A:HEM101 4.2 15.0 1.0
C3C A:HEM101 4.2 14.8 1.0
C2C A:HEM101 4.2 18.6 1.0
C3A A:HEM101 4.2 14.6 1.0
C2A A:HEM101 4.3 13.7 1.0
C2D A:HEM101 4.3 12.1 1.0
C3D A:HEM101 4.3 15.5 1.0
CB A:MET57 4.9 16.2 1.0

Iron binding site 2 out of 6 in 4o1w

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Iron binding site 2 out of 6 in the Crystal Structure of Colwellia Psychrerythraea Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Colwellia Psychrerythraea Cytochrome C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe101

b:14.1
occ:1.00
FE B:HEM101 0.0 14.1 1.0
NB B:HEM101 2.0 14.7 1.0
NE2 B:HIS18 2.0 13.5 1.0
ND B:HEM101 2.0 17.8 1.0
NA B:HEM101 2.0 15.4 1.0
NC B:HEM101 2.0 17.3 1.0
SD B:MET57 2.3 17.2 1.0
CE1 B:HIS18 2.9 12.9 1.0
C4C B:HEM101 3.0 16.1 1.0
C1D B:HEM101 3.0 15.3 1.0
C4B B:HEM101 3.0 18.5 1.0
C1B B:HEM101 3.0 16.4 1.0
C4A B:HEM101 3.0 14.4 1.0
C1A B:HEM101 3.0 16.6 1.0
C4D B:HEM101 3.1 16.8 1.0
CD2 B:HIS18 3.1 15.1 1.0
C1C B:HEM101 3.1 13.7 1.0
CHD B:HEM101 3.3 17.8 1.0
CHB B:HEM101 3.4 14.3 1.0
CE B:MET57 3.4 18.5 1.0
CHA B:HEM101 3.4 14.1 1.0
CG B:MET57 3.4 16.7 1.0
CHC B:HEM101 3.4 17.2 1.0
ND1 B:HIS18 4.0 13.8 1.0
CG B:HIS18 4.2 13.8 1.0
C3B B:HEM101 4.2 21.5 1.0
C3C B:HEM101 4.2 18.4 1.0
C2B B:HEM101 4.2 19.5 1.0
C3A B:HEM101 4.2 16.4 1.0
C2A B:HEM101 4.3 13.7 1.0
C2D B:HEM101 4.3 15.5 1.0
C2C B:HEM101 4.3 20.7 1.0
C3D B:HEM101 4.3 12.4 1.0
CB B:MET57 4.9 17.2 1.0

Iron binding site 3 out of 6 in 4o1w

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Iron binding site 3 out of 6 in the Crystal Structure of Colwellia Psychrerythraea Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Colwellia Psychrerythraea Cytochrome C within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe101

b:18.2
occ:1.00
FE C:HEM101 0.0 18.2 1.0
NE2 C:HIS18 1.8 13.2 1.0
NB C:HEM101 2.0 19.2 1.0
ND C:HEM101 2.1 21.0 1.0
NC C:HEM101 2.1 18.6 1.0
NA C:HEM101 2.1 21.4 1.0
SD C:MET57 2.2 19.3 1.0
CE1 C:HIS18 2.6 20.0 1.0
C1B C:HEM101 3.0 19.8 1.0
C4B C:HEM101 3.0 22.5 1.0
CD2 C:HIS18 3.0 20.3 1.0
C4C C:HEM101 3.0 20.2 1.0
C1D C:HEM101 3.1 19.7 1.0
C4A C:HEM101 3.1 15.9 1.0
C4D C:HEM101 3.1 18.1 1.0
C1A C:HEM101 3.1 20.1 1.0
C1C C:HEM101 3.1 25.2 1.0
CG C:MET57 3.3 20.6 1.0
CE C:MET57 3.4 19.2 1.0
CHB C:HEM101 3.4 17.4 1.0
CHD C:HEM101 3.4 15.4 1.0
CHC C:HEM101 3.4 21.6 1.0
CHA C:HEM101 3.5 16.1 1.0
ND1 C:HIS18 3.8 15.1 1.0
CG C:HIS18 4.0 18.8 1.0
C2B C:HEM101 4.2 22.9 1.0
C3B C:HEM101 4.2 24.7 1.0
C3C C:HEM101 4.3 20.2 1.0
C3A C:HEM101 4.3 18.6 1.0
C2D C:HEM101 4.3 23.4 1.0
C3D C:HEM101 4.3 18.8 1.0
C2A C:HEM101 4.3 18.4 1.0
C2C C:HEM101 4.4 22.1 1.0
CB C:MET57 4.7 23.2 1.0

Iron binding site 4 out of 6 in 4o1w

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Iron binding site 4 out of 6 in the Crystal Structure of Colwellia Psychrerythraea Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Colwellia Psychrerythraea Cytochrome C within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe101

b:15.4
occ:1.00
FE D:HEM101 0.0 15.4 1.0
NE2 D:HIS18 1.9 15.1 1.0
NB D:HEM101 2.0 15.0 1.0
NC D:HEM101 2.0 16.6 1.0
NA D:HEM101 2.0 14.6 1.0
ND D:HEM101 2.1 17.0 1.0
SD D:MET57 2.3 18.1 1.0
CE1 D:HIS18 2.9 15.0 1.0
C4B D:HEM101 2.9 16.8 1.0
CD2 D:HIS18 3.0 14.7 1.0
C1A D:HEM101 3.0 11.4 1.0
C4C D:HEM101 3.0 17.3 1.0
C1C D:HEM101 3.0 19.0 1.0
C1D D:HEM101 3.0 16.0 1.0
C4A D:HEM101 3.1 12.3 1.0
C4D D:HEM101 3.1 18.5 1.0
C1B D:HEM101 3.1 18.1 1.0
CHC D:HEM101 3.3 16.2 1.0
CHD D:HEM101 3.4 19.3 1.0
CHA D:HEM101 3.4 15.4 1.0
CE D:MET57 3.4 16.0 1.0
CG D:MET57 3.4 16.3 1.0
CHB D:HEM101 3.5 15.3 1.0
ND1 D:HIS18 4.0 14.4 1.0
CG D:HIS18 4.1 16.4 1.0
C3B D:HEM101 4.2 19.9 1.0
C2B D:HEM101 4.2 17.1 1.0
C3C D:HEM101 4.2 19.5 1.0
C2A D:HEM101 4.3 14.2 1.0
C2C D:HEM101 4.3 19.0 1.0
C3A D:HEM101 4.3 18.1 1.0
C2D D:HEM101 4.3 16.2 1.0
C3D D:HEM101 4.3 15.9 1.0
CB D:MET57 4.8 19.6 1.0

Iron binding site 5 out of 6 in 4o1w

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Iron binding site 5 out of 6 in the Crystal Structure of Colwellia Psychrerythraea Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Colwellia Psychrerythraea Cytochrome C within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe101

b:14.9
occ:1.00
FE E:HEM101 0.0 14.9 1.0
NB E:HEM101 1.9 15.2 1.0
ND E:HEM101 1.9 12.1 1.0
NE2 E:HIS18 2.0 14.7 1.0
NC E:HEM101 2.0 16.8 1.0
NA E:HEM101 2.1 16.1 1.0
SD E:MET57 2.3 16.9 1.0
C4B E:HEM101 2.8 16.3 1.0
CE1 E:HIS18 2.9 16.2 1.0
C4D E:HEM101 2.9 15.2 1.0
C1C E:HEM101 3.0 14.5 1.0
C1D E:HEM101 3.0 18.9 1.0
C1B E:HEM101 3.0 15.9 1.0
CD2 E:HIS18 3.0 20.7 1.0
C1A E:HEM101 3.0 12.4 1.0
C4C E:HEM101 3.0 16.3 1.0
C4A E:HEM101 3.1 12.5 1.0
CHC E:HEM101 3.2 18.9 1.0
CE E:MET57 3.3 15.7 1.0
CHA E:HEM101 3.3 12.6 1.0
CHD E:HEM101 3.4 14.7 1.0
CG E:MET57 3.5 18.3 1.0
CHB E:HEM101 3.5 15.0 1.0
C3B E:HEM101 4.0 14.8 1.0
ND1 E:HIS18 4.1 17.0 1.0
CG E:HIS18 4.1 18.5 1.0
C2B E:HEM101 4.2 13.2 1.0
C3D E:HEM101 4.2 14.8 1.0
C2D E:HEM101 4.2 14.7 1.0
C2C E:HEM101 4.2 20.0 1.0
C3C E:HEM101 4.2 15.9 1.0
C2A E:HEM101 4.3 13.0 1.0
C3A E:HEM101 4.3 15.0 1.0
CB E:MET57 4.9 20.9 1.0

Iron binding site 6 out of 6 in 4o1w

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Iron binding site 6 out of 6 in the Crystal Structure of Colwellia Psychrerythraea Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Colwellia Psychrerythraea Cytochrome C within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe101

b:14.5
occ:1.00
FE F:HEM101 0.0 14.5 1.0
NE2 F:HIS18 2.0 18.3 1.0
NB F:HEM101 2.0 15.9 1.0
NC F:HEM101 2.0 16.6 1.0
NA F:HEM101 2.1 14.1 1.0
ND F:HEM101 2.1 16.4 1.0
SD F:MET57 2.3 15.3 1.0
C4B F:HEM101 2.9 19.5 1.0
CE1 F:HIS18 2.9 15.4 1.0
C1C F:HEM101 3.0 15.4 1.0
CD2 F:HIS18 3.0 18.8 1.0
C1A F:HEM101 3.0 13.9 1.0
C4D F:HEM101 3.0 15.4 1.0
C1B F:HEM101 3.1 16.0 1.0
C4C F:HEM101 3.1 16.0 1.0
C1D F:HEM101 3.1 19.4 1.0
C4A F:HEM101 3.1 14.4 1.0
CHC F:HEM101 3.3 16.4 1.0
CE F:MET57 3.3 11.9 1.0
CHA F:HEM101 3.4 13.2 1.0
CG F:MET57 3.4 15.1 1.0
CHB F:HEM101 3.5 13.3 1.0
CHD F:HEM101 3.5 15.4 1.0
ND1 F:HIS18 4.0 17.0 1.0
CG F:HIS18 4.1 20.3 1.0
C3B F:HEM101 4.1 18.9 1.0
C2B F:HEM101 4.2 18.6 1.0
C2C F:HEM101 4.2 20.0 1.0
C3C F:HEM101 4.3 15.8 1.0
C2A F:HEM101 4.3 15.7 1.0
C3A F:HEM101 4.3 13.0 1.0
C3D F:HEM101 4.3 15.7 1.0
C2D F:HEM101 4.3 17.1 1.0
CB F:MET57 4.8 17.7 1.0

Reference:

P.B.Harvilla, H.N.Wolcott, J.S.Magyar. The Structure of Ferricytochrome C552 From the Psychrophilic Marine Bacterium Colwellia Psychrerythraea 34H. Metallomics V. 6 1126 2014.
ISSN: ISSN 1756-5901
PubMed: 24727932
DOI: 10.1039/C4MT00045E
Page generated: Tue Aug 5 13:27:58 2025

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