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Iron in PDB 2cth: Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough

Protein crystallography data

The structure of Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough, PDB code: 2cth was solved by P.Simoes, P.M.Matias, J.Morais, K.Wilson, Z.Dauter, M.A.Carrondo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.67
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 77.300, 77.300, 77.100, 90.00, 90.00, 120.00
R / Rfree (%) 15.3 / 19

Iron Binding Sites:

The binding sites of Iron atom in the Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough (pdb code 2cth). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough, PDB code: 2cth:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 2cth

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Iron binding site 1 out of 8 in the Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe109

b:14.1
occ:1.00
FE A:HEM109 0.0 14.1 1.0
NA A:HEM109 2.0 15.1 1.0
ND A:HEM109 2.0 13.4 1.0
NC A:HEM109 2.0 14.8 1.0
NB A:HEM109 2.0 13.8 1.0
NE2 A:HIS106 2.1 13.9 1.0
NE2 A:HIS70 2.1 11.8 1.0
CE1 A:HIS106 3.0 16.1 1.0
C4C A:HEM109 3.0 12.3 1.0
C1A A:HEM109 3.0 14.0 1.0
CE1 A:HIS70 3.0 15.7 1.0
C4D A:HEM109 3.0 16.0 1.0
C4A A:HEM109 3.0 16.0 1.0
C1D A:HEM109 3.0 11.9 1.0
C1B A:HEM109 3.1 15.4 1.0
C1C A:HEM109 3.1 14.0 1.0
CD2 A:HIS106 3.1 12.8 1.0
CD2 A:HIS70 3.1 13.2 1.0
C4B A:HEM109 3.1 15.3 1.0
CHA A:HEM109 3.4 11.8 1.0
CHB A:HEM109 3.4 18.2 1.0
CHD A:HEM109 3.4 12.6 1.0
CHC A:HEM109 3.5 13.2 1.0
ND1 A:HIS106 4.2 16.1 1.0
ND1 A:HIS70 4.2 16.1 1.0
CG A:HIS70 4.2 15.3 1.0
CG A:HIS106 4.2 14.0 1.0
C2A A:HEM109 4.3 15.9 1.0
C3D A:HEM109 4.3 14.3 1.0
C2D A:HEM109 4.3 11.1 1.0
C2C A:HEM109 4.3 11.8 1.0
C3A A:HEM109 4.3 16.3 1.0
C3C A:HEM109 4.3 11.9 1.0
C2B A:HEM109 4.3 16.3 1.0
C3B A:HEM109 4.3 15.9 1.0
CE2 A:TYR66 5.0 20.3 1.0

Iron binding site 2 out of 8 in 2cth

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Iron binding site 2 out of 8 in the Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe110

b:21.4
occ:1.00
FE A:HEM110 0.0 21.4 1.0
NE2 A:HIS35 2.0 23.1 1.0
NC A:HEM110 2.0 21.2 1.0
ND A:HEM110 2.0 20.8 1.0
NA A:HEM110 2.0 18.9 1.0
NE2 A:HIS52 2.0 19.9 1.0
NB A:HEM110 2.0 16.5 1.0
CE1 A:HIS35 2.9 25.7 1.0
CE1 A:HIS52 2.9 22.0 1.0
C1D A:HEM110 3.0 22.9 1.0
C1C A:HEM110 3.0 22.7 1.0
C4C A:HEM110 3.0 24.4 1.0
CD2 A:HIS35 3.1 20.9 1.0
C1A A:HEM110 3.1 23.6 1.0
C4A A:HEM110 3.1 16.5 1.0
C4D A:HEM110 3.1 23.2 1.0
C1B A:HEM110 3.1 17.1 1.0
C4B A:HEM110 3.1 18.0 1.0
CD2 A:HIS52 3.1 17.9 1.0
CHD A:HEM110 3.4 22.3 1.0
CHC A:HEM110 3.4 19.9 1.0
CHB A:HEM110 3.4 17.9 1.0
CHA A:HEM110 3.4 24.9 1.0
ND1 A:HIS35 4.0 22.2 1.0
ND1 A:HIS52 4.1 20.9 1.0
CG A:HIS35 4.2 20.2 1.0
CG A:HIS52 4.2 18.4 1.0
C2D A:HEM110 4.3 25.2 1.0
C2C A:HEM110 4.3 23.1 1.0
C3D A:HEM110 4.3 27.3 1.0
C3C A:HEM110 4.3 23.8 1.0
C2A A:HEM110 4.3 20.7 1.0
C3A A:HEM110 4.3 18.0 1.0
C2B A:HEM110 4.3 16.5 1.0
C3B A:HEM110 4.3 17.1 1.0

Iron binding site 3 out of 8 in 2cth

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Iron binding site 3 out of 8 in the Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe111

b:16.6
occ:1.00
FE A:HEM111 0.0 16.6 1.0
NA A:HEM111 2.0 16.6 1.0
ND A:HEM111 2.0 14.0 1.0
NE2 A:HIS34 2.0 16.0 1.0
NB A:HEM111 2.0 15.8 1.0
NC A:HEM111 2.0 18.0 1.0
NE2 A:HIS22 2.1 15.1 1.0
CE1 A:HIS34 3.0 14.4 1.0
C1D A:HEM111 3.0 14.2 1.0
CE1 A:HIS22 3.0 13.1 1.0
C4D A:HEM111 3.0 13.6 1.0
C4A A:HEM111 3.0 19.6 1.0
C1A A:HEM111 3.0 19.5 1.0
C1B A:HEM111 3.1 22.1 1.0
C1C A:HEM111 3.1 19.0 1.0
CD2 A:HIS34 3.1 15.4 1.0
C4B A:HEM111 3.1 16.0 1.0
C4C A:HEM111 3.1 18.8 1.0
CD2 A:HIS22 3.1 16.6 1.0
CHB A:HEM111 3.4 18.3 1.0
CHA A:HEM111 3.4 15.9 1.0
CHD A:HEM111 3.4 14.6 1.0
CHC A:HEM111 3.5 18.8 1.0
ND1 A:HIS34 4.1 16.0 1.0
ND1 A:HIS22 4.1 15.8 1.0
CG A:HIS34 4.2 17.8 1.0
CG A:HIS22 4.2 15.1 1.0
C2D A:HEM111 4.2 11.8 1.0
C3D A:HEM111 4.2 14.5 1.0
C2A A:HEM111 4.3 21.4 1.0
C3A A:HEM111 4.3 22.3 1.0
C2B A:HEM111 4.3 21.4 1.0
C2C A:HEM111 4.3 21.3 1.0
C3C A:HEM111 4.3 18.8 1.0
C3B A:HEM111 4.3 21.0 1.0
CE2 A:PHE20 4.7 13.9 1.0
CD A:PRO5 4.9 21.2 1.0

Iron binding site 4 out of 8 in 2cth

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Iron binding site 4 out of 8 in the Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe112

b:15.1
occ:1.00
FE A:HEM112 0.0 15.1 1.0
ND A:HEM112 2.0 15.6 1.0
NA A:HEM112 2.0 12.3 1.0
NC A:HEM112 2.0 15.3 1.0
NB A:HEM112 2.0 13.4 1.0
NE2 A:HIS83 2.0 10.9 1.0
NE2 A:HIS25 2.1 12.9 1.0
CE1 A:HIS83 2.9 11.9 1.0
CD2 A:HIS25 3.0 14.4 1.0
C4D A:HEM112 3.0 18.3 1.0
C1A A:HEM112 3.0 16.2 1.0
C1D A:HEM112 3.0 16.7 1.0
CE1 A:HIS25 3.1 13.5 1.0
C4B A:HEM112 3.1 11.4 1.0
C1C A:HEM112 3.1 14.5 1.0
C4A A:HEM112 3.1 12.7 1.0
C1B A:HEM112 3.1 14.2 1.0
C4C A:HEM112 3.1 16.8 1.0
CD2 A:HIS83 3.1 15.3 1.0
CHA A:HEM112 3.4 16.4 1.0
CHD A:HEM112 3.4 16.0 1.0
CHB A:HEM112 3.4 13.8 1.0
CHC A:HEM112 3.4 12.5 1.0
ND1 A:HIS83 4.1 13.8 1.0
CG A:HIS25 4.2 12.0 1.0
ND1 A:HIS25 4.2 14.5 1.0
CG A:HIS83 4.2 12.0 1.0
C3D A:HEM112 4.2 21.9 1.0
C2D A:HEM112 4.3 15.9 1.0
C2A A:HEM112 4.3 14.1 1.0
C3A A:HEM112 4.3 16.1 1.0
C2C A:HEM112 4.3 15.5 1.0
C2B A:HEM112 4.3 13.3 1.0
C3C A:HEM112 4.3 15.1 1.0
C3B A:HEM112 4.3 12.6 1.0

Iron binding site 5 out of 8 in 2cth

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Iron binding site 5 out of 8 in the Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe109

b:13.8
occ:1.00
FE B:HEM109 0.0 13.8 1.0
ND B:HEM109 2.0 12.1 1.0
NA B:HEM109 2.0 12.8 1.0
NE2 B:HIS70 2.0 14.3 1.0
NC B:HEM109 2.0 14.6 1.0
NB B:HEM109 2.0 18.6 1.0
NE2 B:HIS106 2.1 16.2 1.0
CE1 B:HIS70 2.9 15.6 1.0
CE1 B:HIS106 3.0 15.2 1.0
C4A B:HEM109 3.0 15.2 1.0
C4D B:HEM109 3.0 11.7 1.0
C1A B:HEM109 3.0 13.8 1.0
C1D B:HEM109 3.0 10.1 1.0
C4C B:HEM109 3.0 12.0 1.0
C1B B:HEM109 3.1 18.0 1.0
C1C B:HEM109 3.1 13.0 1.0
CD2 B:HIS70 3.1 13.7 1.0
C4B B:HEM109 3.1 18.3 1.0
CD2 B:HIS106 3.1 16.5 1.0
CHB B:HEM109 3.4 17.6 1.0
CHD B:HEM109 3.4 11.7 1.0
CHA B:HEM109 3.4 11.9 1.0
CHC B:HEM109 3.5 14.4 1.0
ND1 B:HIS70 4.1 14.5 1.0
ND1 B:HIS106 4.1 16.5 1.0
CG B:HIS70 4.2 12.9 1.0
C3A B:HEM109 4.2 18.6 1.0
C2A B:HEM109 4.2 16.1 1.0
C2D B:HEM109 4.2 11.0 1.0
C3D B:HEM109 4.2 11.8 1.0
CG B:HIS106 4.2 19.8 1.0
C2C B:HEM109 4.3 14.4 1.0
C3C B:HEM109 4.3 15.1 1.0
C2B B:HEM109 4.3 20.3 1.0
C3B B:HEM109 4.4 17.8 1.0

Iron binding site 6 out of 8 in 2cth

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Iron binding site 6 out of 8 in the Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe110

b:19.8
occ:1.00
FE B:HEM110 0.0 19.8 1.0
NE2 B:HIS35 1.9 20.4 1.0
NE2 B:HIS52 2.0 19.7 1.0
ND B:HEM110 2.0 23.8 1.0
NA B:HEM110 2.0 18.8 1.0
NC B:HEM110 2.0 20.4 1.0
NB B:HEM110 2.0 16.6 1.0
CE1 B:HIS35 2.8 23.3 1.0
CE1 B:HIS52 2.9 21.9 1.0
C4D B:HEM110 3.0 25.9 1.0
C1D B:HEM110 3.0 24.5 1.0
C1C B:HEM110 3.0 20.8 1.0
C4C B:HEM110 3.0 26.4 1.0
C1B B:HEM110 3.0 15.9 1.0
C4A B:HEM110 3.0 17.9 1.0
C1A B:HEM110 3.1 19.1 1.0
CD2 B:HIS35 3.1 17.6 1.0
CD2 B:HIS52 3.1 14.0 1.0
C4B B:HEM110 3.1 18.5 1.0
CHA B:HEM110 3.4 20.8 1.0
CHB B:HEM110 3.4 17.8 1.0
CHD B:HEM110 3.4 25.9 1.0
CHC B:HEM110 3.4 19.3 1.0
ND1 B:HIS35 4.0 23.9 1.0
ND1 B:HIS52 4.1 18.5 1.0
CG B:HIS35 4.1 23.4 1.0
CG B:HIS52 4.2 17.1 1.0
C3D B:HEM110 4.2 30.7 1.0
C2D B:HEM110 4.2 26.9 1.0
C2C B:HEM110 4.3 22.3 1.0
C2A B:HEM110 4.3 16.4 1.0
C3A B:HEM110 4.3 20.8 1.0
C3C B:HEM110 4.3 25.9 1.0
C2B B:HEM110 4.3 17.4 1.0
C3B B:HEM110 4.3 17.7 1.0

Iron binding site 7 out of 8 in 2cth

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Iron binding site 7 out of 8 in the Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe111

b:16.1
occ:1.00
FE B:HEM111 0.0 16.1 1.0
NA B:HEM111 2.0 17.6 1.0
NE2 B:HIS34 2.0 16.3 1.0
NC B:HEM111 2.0 15.9 1.0
ND B:HEM111 2.0 12.1 1.0
NB B:HEM111 2.0 15.2 1.0
NE2 B:HIS22 2.1 17.0 1.0
CD2 B:HIS34 3.0 17.2 1.0
CE1 B:HIS34 3.0 16.6 1.0
C1D B:HEM111 3.0 12.8 1.0
C4A B:HEM111 3.0 17.7 1.0
C1A B:HEM111 3.0 17.2 1.0
C4D B:HEM111 3.0 15.6 1.0
CE1 B:HIS22 3.1 17.0 1.0
C4C B:HEM111 3.1 14.8 1.0
C1C B:HEM111 3.1 16.3 1.0
C4B B:HEM111 3.1 15.2 1.0
C1B B:HEM111 3.1 18.3 1.0
CD2 B:HIS22 3.1 15.8 1.0
CHB B:HEM111 3.4 19.0 1.0
CHD B:HEM111 3.4 14.6 1.0
CHA B:HEM111 3.4 14.9 1.0
CHC B:HEM111 3.4 14.0 1.0
ND1 B:HIS34 4.1 16.4 1.0
CG B:HIS34 4.1 15.0 1.0
ND1 B:HIS22 4.2 19.9 1.0
C3A B:HEM111 4.2 20.8 1.0
CG B:HIS22 4.2 16.9 1.0
C2A B:HEM111 4.2 20.5 1.0
C2D B:HEM111 4.3 13.3 1.0
C3D B:HEM111 4.3 15.2 1.0
C2C B:HEM111 4.3 18.4 1.0
C3C B:HEM111 4.3 17.0 1.0
C2B B:HEM111 4.3 17.2 1.0
C3B B:HEM111 4.3 13.9 1.0
CE2 B:PHE20 4.8 17.3 1.0
CD B:PRO5 4.8 23.4 1.0

Iron binding site 8 out of 8 in 2cth

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Iron binding site 8 out of 8 in the Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe112

b:17.3
occ:1.00
FE B:HEM112 0.0 17.3 1.0
NE2 B:HIS25 2.0 14.3 1.0
NC B:HEM112 2.0 15.9 1.0
NA B:HEM112 2.0 17.1 1.0
ND B:HEM112 2.0 18.8 1.0
NB B:HEM112 2.0 14.9 1.0
NE2 B:HIS83 2.0 16.6 1.0
CE1 B:HIS83 2.9 16.8 1.0
CE1 B:HIS25 3.0 16.0 1.0
C4D B:HEM112 3.0 20.6 1.0
CD2 B:HIS25 3.0 14.5 1.0
C1D B:HEM112 3.0 18.0 1.0
C1B B:HEM112 3.1 18.1 1.0
C1C B:HEM112 3.1 17.5 1.0
C4A B:HEM112 3.1 19.8 1.0
C4B B:HEM112 3.1 15.1 1.0
C1A B:HEM112 3.1 17.7 1.0
C4C B:HEM112 3.1 17.7 1.0
CD2 B:HIS83 3.1 16.6 1.0
CHA B:HEM112 3.4 19.6 1.0
CHB B:HEM112 3.4 17.4 1.0
CHC B:HEM112 3.4 13.4 1.0
CHD B:HEM112 3.5 19.0 1.0
ND1 B:HIS25 4.1 18.4 1.0
ND1 B:HIS83 4.1 17.3 1.0
CG B:HIS25 4.1 16.1 1.0
CG B:HIS83 4.2 17.8 1.0
C3D B:HEM112 4.2 21.9 1.0
C2D B:HEM112 4.3 22.8 1.0
C2A B:HEM112 4.3 17.2 1.0
C3A B:HEM112 4.3 17.4 1.0
C2B B:HEM112 4.3 13.9 1.0
C2C B:HEM112 4.3 16.4 1.0
C3C B:HEM112 4.3 19.5 1.0
C3B B:HEM112 4.3 14.6 1.0

Reference:

P.Simoes, P.M.Matias, J.Morais, K.Wilson, Z.Dauter, M.A.Carrondo. Refinement of the Three-Dimensional Structures of Cytochromes C3 From Desulfovibrio Vulgaris Hildenborough at 1.67 Angstrom Resolution and From Desulfovibrio Desulfuricans Atcc 27774 at 1.6 Angstrom Resolution Inorg.Chim.Acta. V. 273 213 1998.
ISSN: ISSN 0020-1693
Page generated: Sat Aug 3 20:30:49 2024

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