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Iron in PDB 1i77: Cytochrome C3 From Desulfovibrio Desulfuricans Essex 6

Protein crystallography data

The structure of Cytochrome C3 From Desulfovibrio Desulfuricans Essex 6, PDB code: 1i77 was solved by O.Einsle, S.Foerster, K.H.Mann, G.Fritz, A.Messerschmidt, P.M.H.Kroneck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.00 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.370, 49.390, 70.990, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 22.8

Iron Binding Sites:

The binding sites of Iron atom in the Cytochrome C3 From Desulfovibrio Desulfuricans Essex 6 (pdb code 1i77). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Cytochrome C3 From Desulfovibrio Desulfuricans Essex 6, PDB code: 1i77:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1i77

Go back to Iron Binding Sites List in 1i77
Iron binding site 1 out of 4 in the Cytochrome C3 From Desulfovibrio Desulfuricans Essex 6


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 Desulfuricans Essex 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe108

b:22.0
occ:1.00
FE A:HEM108 0.0 22.0 1.0
NE2 A:HIS34 1.9 13.2 1.0
ND A:HEM108 2.0 20.5 1.0
NC A:HEM108 2.0 17.2 1.0
NA A:HEM108 2.0 23.9 1.0
NB A:HEM108 2.0 20.6 1.0
NE2 A:HIS22 2.0 20.9 1.0
CE1 A:HIS34 2.9 15.4 1.0
CD2 A:HIS34 3.0 17.9 1.0
C1D A:HEM108 3.0 20.9 1.0
C1B A:HEM108 3.0 22.2 1.0
C4C A:HEM108 3.0 19.9 1.0
CE1 A:HIS22 3.0 21.7 1.0
C4A A:HEM108 3.0 24.3 1.0
C1A A:HEM108 3.0 23.8 1.0
C4D A:HEM108 3.0 21.4 1.0
C1C A:HEM108 3.1 20.0 1.0
C4B A:HEM108 3.1 21.8 1.0
CD2 A:HIS22 3.1 21.8 1.0
CHD A:HEM108 3.3 19.7 1.0
CHB A:HEM108 3.3 23.1 1.0
CHA A:HEM108 3.4 22.4 1.0
CHC A:HEM108 3.4 20.0 1.0
ND1 A:HIS34 4.0 17.0 1.0
CG A:HIS34 4.1 16.1 1.0
ND1 A:HIS22 4.2 22.7 1.0
CG A:HIS22 4.2 21.9 1.0
C2A A:HEM108 4.2 26.5 1.0
C3A A:HEM108 4.2 25.3 1.0
C2B A:HEM108 4.2 21.7 1.0
C2D A:HEM108 4.2 19.9 1.0
C3D A:HEM108 4.3 19.9 1.0
C3C A:HEM108 4.3 18.9 1.0
C2C A:HEM108 4.3 18.3 1.0
C3B A:HEM108 4.3 21.7 1.0
CE2 A:PHE20 4.7 20.9 1.0

Iron binding site 2 out of 4 in 1i77

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Iron binding site 2 out of 4 in the Cytochrome C3 From Desulfovibrio Desulfuricans Essex 6


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 Desulfuricans Essex 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe109

b:20.0
occ:1.00
FE A:HEM109 0.0 20.0 1.0
NE2 A:HIS35 1.9 18.4 1.0
NB A:HEM109 2.0 16.3 1.0
ND A:HEM109 2.0 20.1 1.0
NC A:HEM109 2.0 19.4 1.0
NE2 A:HIS52 2.0 13.8 1.0
NA A:HEM109 2.0 17.4 1.0
CE1 A:HIS35 2.8 19.7 1.0
CE1 A:HIS52 2.9 16.8 1.0
C1C A:HEM109 3.0 19.7 1.0
C1B A:HEM109 3.0 19.2 1.0
C4B A:HEM109 3.0 18.3 1.0
C1A A:HEM109 3.0 19.3 1.0
C4A A:HEM109 3.0 17.6 1.0
C4D A:HEM109 3.0 21.9 1.0
C4C A:HEM109 3.0 21.1 1.0
CD2 A:HIS52 3.0 16.1 1.0
C1D A:HEM109 3.0 21.9 1.0
CD2 A:HIS35 3.1 17.8 1.0
CHC A:HEM109 3.4 19.1 1.0
CHA A:HEM109 3.4 19.6 1.0
CHB A:HEM109 3.4 17.4 1.0
CHD A:HEM109 3.4 21.6 1.0
ND1 A:HIS35 4.0 18.4 1.0
ND1 A:HIS52 4.1 16.0 1.0
CG A:HIS35 4.2 20.4 1.0
CG A:HIS52 4.2 16.6 1.0
C2C A:HEM109 4.2 20.5 1.0
C2B A:HEM109 4.2 18.2 1.0
C2D A:HEM109 4.3 23.2 1.0
C3D A:HEM109 4.3 22.7 1.0
C3B A:HEM109 4.3 18.6 1.0
C2A A:HEM109 4.3 17.9 1.0
C3A A:HEM109 4.3 18.2 1.0
C3C A:HEM109 4.3 21.1 1.0

Iron binding site 3 out of 4 in 1i77

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Iron binding site 3 out of 4 in the Cytochrome C3 From Desulfovibrio Desulfuricans Essex 6


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 Desulfuricans Essex 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe110

b:20.1
occ:1.00
FE A:HEM110 0.0 20.1 1.0
ND A:HEM110 1.9 19.8 1.0
NA A:HEM110 2.0 19.5 1.0
NE2 A:HIS25 2.0 19.4 1.0
NB A:HEM110 2.0 17.1 1.0
NC A:HEM110 2.0 17.0 1.0
NE2 A:HIS83 2.0 19.4 1.0
C4D A:HEM110 3.0 20.8 1.0
CE1 A:HIS25 3.0 22.3 1.0
CE1 A:HIS83 3.0 18.2 1.0
C1D A:HEM110 3.0 20.8 1.0
C1A A:HEM110 3.0 21.5 1.0
CD2 A:HIS25 3.0 21.3 1.0
C4A A:HEM110 3.0 18.2 1.0
C1C A:HEM110 3.0 17.8 1.0
C4B A:HEM110 3.0 17.8 1.0
C4C A:HEM110 3.0 18.0 1.0
C1B A:HEM110 3.0 17.0 1.0
CD2 A:HIS83 3.1 18.5 1.0
CHA A:HEM110 3.4 20.2 1.0
CHD A:HEM110 3.4 19.8 1.0
CHC A:HEM110 3.4 16.1 1.0
CHB A:HEM110 3.4 16.9 1.0
ND1 A:HIS25 4.1 20.5 1.0
ND1 A:HIS83 4.1 17.2 1.0
CG A:HIS25 4.2 21.2 1.0
C3D A:HEM110 4.2 21.4 1.0
C2D A:HEM110 4.2 21.1 1.0
CG A:HIS83 4.2 17.6 1.0
C2A A:HEM110 4.2 21.9 1.0
C3A A:HEM110 4.3 19.4 1.0
C2C A:HEM110 4.3 15.3 1.0
C2B A:HEM110 4.3 16.4 1.0
C3C A:HEM110 4.3 17.5 1.0
C3B A:HEM110 4.3 16.9 1.0

Iron binding site 4 out of 4 in 1i77

Go back to Iron Binding Sites List in 1i77
Iron binding site 4 out of 4 in the Cytochrome C3 From Desulfovibrio Desulfuricans Essex 6


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 Desulfuricans Essex 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe111

b:19.7
occ:1.00
FE A:HEM111 0.0 19.7 1.0
NA A:HEM111 2.0 18.0 1.0
NE2 A:HIS69 2.0 13.4 1.0
NC A:HEM111 2.0 16.4 1.0
ND A:HEM111 2.0 17.6 1.0
NB A:HEM111 2.0 18.8 1.0
NE2 A:HIS106 2.0 24.7 1.0
CE1 A:HIS106 3.0 23.8 1.0
CD2 A:HIS69 3.0 12.7 1.0
C4A A:HEM111 3.0 19.8 1.0
CE1 A:HIS69 3.0 13.1 1.0
C1A A:HEM111 3.0 19.6 1.0
C1D A:HEM111 3.0 18.9 1.0
C1B A:HEM111 3.0 19.8 1.0
C1C A:HEM111 3.0 19.5 1.0
C4C A:HEM111 3.0 19.1 1.0
C4B A:HEM111 3.0 20.1 1.0
C4D A:HEM111 3.1 19.1 1.0
CD2 A:HIS106 3.1 24.6 1.0
CHB A:HEM111 3.4 19.8 1.0
CHC A:HEM111 3.4 16.8 1.0
CHD A:HEM111 3.4 18.8 1.0
CHA A:HEM111 3.4 19.4 1.0
ND1 A:HIS69 4.1 15.2 1.0
CG A:HIS69 4.2 14.8 1.0
ND1 A:HIS106 4.2 23.1 1.0
C2D A:HEM111 4.2 17.5 1.0
CG A:HIS106 4.3 23.1 1.0
C2C A:HEM111 4.3 18.3 1.0
C2B A:HEM111 4.3 20.2 1.0
C2A A:HEM111 4.3 19.3 1.0
C3C A:HEM111 4.3 19.1 1.0
C3A A:HEM111 4.3 19.8 1.0
C3B A:HEM111 4.3 20.5 1.0
C3D A:HEM111 4.3 17.7 1.0

Reference:

O.Einsle, S.Foerster, K.Mann, G.Fritz, A.Messerschmidt, P.M.Kroneck. Spectroscopic Investigation and Determination of Reactivity and Structure of the Tetraheme Cytochrome C3 From Desulfovibrio Desulfuricans Essex 6. Eur.J.Biochem. V. 268 3028 2001.
ISSN: ISSN 0014-2956
PubMed: 11358521
DOI: 10.1046/J.1432-1327.2001.02195.X
Page generated: Wed Jul 16 16:11:53 2025

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