Iron in PDB 3cao: Oxidised Structure of the Acidic Cytochrome C3 From Desulfovibrio Africanus

The structure of Oxidised Structure of the Acidic Cytochrome C3 From Desulfovibrio Africanus, PDB code: 3cao was solved by S.Norager, P.Legrand, L.Pieulle, C.Hatchikian, M.Roth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	108.000, 108.000, 108.000, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 22.8

The structure of Oxidised Structure of the Acidic Cytochrome C3 From Desulfovibrio Africanus also contains other interesting chemical elements:

Arsenic	(As)	3 atoms
Zinc	(Zn)	4 atoms

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

Iron binding site 1 out of 4 in the Oxidised Structure of the Acidic Cytochrome C3 From Desulfovibrio Africanus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Oxidised Structure of the Acidic Cytochrome C3 From Desulfovibrio Africanus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe104 b:9.4 occ:1.00 FE A:HEM104 0.0 9.4 1.0 NE2 A:HIS40 2.0 8.9 1.0 NE2 A:HIS24 2.0 10.8 1.0 NC A:HEM104 2.0 9.2 1.0 ND A:HEM104 2.0 9.5 1.0 NA A:HEM104 2.0 10.4 1.0 NB A:HEM104 2.0 7.9 1.0 CE1 A:HIS40 2.9 12.0 1.0 CD2 A:HIS24 3.0 10.4 1.0 CE1 A:HIS24 3.0 10.6 1.0 C4C A:HEM104 3.0 8.8 1.0 C1C A:HEM104 3.0 10.7 1.0 C1A A:HEM104 3.0 10.7 1.0 C1D A:HEM104 3.0 10.6 1.0 C4D A:HEM104 3.0 7.7 1.0 C4B A:HEM104 3.1 10.4 1.0 CD2 A:HIS40 3.1 8.2 1.0 C4A A:HEM104 3.1 11.6 1.0 C1B A:HEM104 3.1 10.6 1.0 CHD A:HEM104 3.4 8.3 1.0 CHA A:HEM104 3.4 11.0 1.0 CHB A:HEM104 3.4 12.4 1.0 CHC A:HEM104 3.5 11.2 1.0 ND1 A:HIS40 4.1 11.1 1.0 ND1 A:HIS24 4.1 10.1 1.0 CG A:HIS24 4.1 8.9 1.0 CG A:HIS40 4.2 10.7 1.0 C3C A:HEM104 4.3 10.6 1.0 C2D A:HEM104 4.3 8.9 1.0 C2C A:HEM104 4.3 10.8 1.0 C2A A:HEM104 4.3 11.2 1.0 C3A A:HEM104 4.3 12.8 1.0 C3D A:HEM104 4.3 10.7 1.0 C2B A:HEM104 4.3 12.7 1.0 C3B A:HEM104 4.3 12.2 1.0

Iron binding site 2 out of 4 in the Oxidised Structure of the Acidic Cytochrome C3 From Desulfovibrio Africanus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Oxidised Structure of the Acidic Cytochrome C3 From Desulfovibrio Africanus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe105 b:9.9 occ:1.00 FE A:HEM105 0.0 9.9 1.0 NB A:HEM105 2.0 8.1 1.0 ND A:HEM105 2.0 9.2 1.0 NA A:HEM105 2.0 8.0 1.0 NC A:HEM105 2.0 9.6 1.0 NE2 A:HIS41 2.0 8.1 1.0 NE2 A:HIS63 2.0 10.6 1.0 CE1 A:HIS63 2.9 8.6 1.0 CE1 A:HIS41 3.0 8.9 1.0 C1B A:HEM105 3.0 8.8 1.0 C1D A:HEM105 3.0 11.2 1.0 C1A A:HEM105 3.0 8.2 1.0 C1C A:HEM105 3.0 9.1 1.0 C4D A:HEM105 3.0 11.9 1.0 C4A A:HEM105 3.0 8.2 1.0 C4B A:HEM105 3.1 9.5 1.0 C4C A:HEM105 3.1 10.8 1.0 CD2 A:HIS41 3.1 9.7 1.0 CD2 A:HIS63 3.1 9.7 1.0 CHB A:HEM105 3.4 7.9 1.0 CHD A:HEM105 3.4 11.5 1.0 CHA A:HEM105 3.4 10.4 1.0 CHC A:HEM105 3.4 9.3 1.0 ND1 A:HIS63 4.1 9.1 1.0 ND1 A:HIS41 4.2 10.6 1.0 CG A:HIS41 4.2 11.6 1.0 CG A:HIS63 4.2 9.4 1.0 C3D A:HEM105 4.2 11.6 1.0 C2B A:HEM105 4.2 9.8 1.0 C2D A:HEM105 4.2 11.9 1.0 C2A A:HEM105 4.3 8.7 1.0 C3B A:HEM105 4.3 9.9 1.0 C3A A:HEM105 4.3 7.9 1.0 C2C A:HEM105 4.3 9.5 1.0 C3C A:HEM105 4.3 11.9 1.0 CD1 A:TRP43 4.7 11.8 1.0

Iron binding site 3 out of 4 in the Oxidised Structure of the Acidic Cytochrome C3 From Desulfovibrio Africanus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Oxidised Structure of the Acidic Cytochrome C3 From Desulfovibrio Africanus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe106 b:11.2 occ:1.00 FE A:HEM106 0.0 11.2 1.0 NB A:HEM106 2.0 9.5 1.0 ND A:HEM106 2.0 10.0 1.0 NE2 A:HIS86 2.0 8.1 1.0 NC A:HEM106 2.0 11.1 1.0 NA A:HEM106 2.0 12.5 1.0 NE2 A:HIS27 2.0 8.0 1.0 CE1 A:HIS86 2.9 10.7 1.0 CE1 A:HIS27 3.0 10.8 1.0 CD2 A:HIS27 3.0 12.9 1.0 C4D A:HEM106 3.0 13.3 1.0 C1D A:HEM106 3.0 10.9 1.0 C4B A:HEM106 3.0 8.7 1.0 C4A A:HEM106 3.0 10.9 1.0 C1A A:HEM106 3.0 13.9 1.0 C1B A:HEM106 3.0 8.4 1.0 C1C A:HEM106 3.1 8.8 1.0 CD2 A:HIS86 3.1 14.2 1.0 C4C A:HEM106 3.1 10.2 1.0 CHA A:HEM106 3.4 13.1 1.0 CHD A:HEM106 3.4 10.7 1.0 CHC A:HEM106 3.4 9.4 1.0 CHB A:HEM106 3.4 11.1 1.0 ND1 A:HIS86 4.1 12.3 1.0 ND1 A:HIS27 4.1 10.7 1.0 CG A:HIS27 4.1 11.7 1.0 CG A:HIS86 4.1 9.3 1.0 C3D A:HEM106 4.2 13.0 1.0 C2D A:HEM106 4.3 11.9 1.0 C2B A:HEM106 4.3 8.5 1.0 C3B A:HEM106 4.3 8.8 1.0 C2A A:HEM106 4.3 15.1 1.0 C3A A:HEM106 4.3 12.8 1.0 C2C A:HEM106 4.3 9.3 1.0 C3C A:HEM106 4.3 9.8 1.0

Iron binding site 4 out of 4 in the Oxidised Structure of the Acidic Cytochrome C3 From Desulfovibrio Africanus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Oxidised Structure of the Acidic Cytochrome C3 From Desulfovibrio Africanus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:13.0 occ:1.00 FE A:HEM107 0.0 13.0 1.0 NA A:HEM107 2.0 13.4 1.0 NE2 A:HIS79 2.0 13.7 1.0 NC A:HEM107 2.0 14.5 1.0 NE2 A:HIS100 2.0 11.1 1.0 ND A:HEM107 2.0 9.0 1.0 NB A:HEM107 2.0 9.2 1.0 CE1 A:HIS100 3.0 15.4 1.0 CE1 A:HIS79 3.0 20.2 1.0 CD2 A:HIS79 3.0 13.7 1.0 C4D A:HEM107 3.0 9.5 1.0 C4B A:HEM107 3.0 11.9 1.0 C1B A:HEM107 3.0 15.3 1.0 C4A A:HEM107 3.0 13.2 1.0 CD2 A:HIS100 3.0 16.4 1.0 C1C A:HEM107 3.0 10.5 1.0 C1D A:HEM107 3.1 11.0 1.0 C1A A:HEM107 3.1 8.8 1.0 C4C A:HEM107 3.1 11.6 1.0 CHB A:HEM107 3.4 11.8 1.0 CHD A:HEM107 3.4 10.6 1.0 CHC A:HEM107 3.4 14.7 1.0 CHA A:HEM107 3.4 11.4 1.0 ND1 A:HIS100 4.1 11.6 1.0 ND1 A:HIS79 4.1 15.9 1.0 CG A:HIS79 4.1 14.2 1.0 CG A:HIS100 4.2 13.8 1.0 C2D A:HEM107 4.2 7.5 1.0 C2B A:HEM107 4.3 12.2 1.0 C3A A:HEM107 4.3 15.3 1.0 C3D A:HEM107 4.3 9.5 1.0 C3C A:HEM107 4.3 12.8 1.0 C3B A:HEM107 4.3 13.5 1.0 C2C A:HEM107 4.3 13.0 1.0 C2A A:HEM107 4.3 14.2 1.0

S.Norager, P.Legrand, L.Pieulle, C.Hatchikian, M.Roth. Crystal Structure of the Oxidised and Reduced Acidic Cytochrome C3FROM Desulfovibrio Africanus. J.Mol.Biol. V. 290 881 1999.
ISSN: ISSN 0022-2836
PubMed: 10398589
DOI: 10.1006/JMBI.1999.2917