Iron in PDB 3cyr: Cytochrome C3 From Desulfovibrio Desulfuricans Atcc 27774P

The structure of Cytochrome C3 From Desulfovibrio Desulfuricans Atcc 27774P, PDB code: 3cyr 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 / 1.60
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	62.710, 62.710, 111.090, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 22.1

The binding sites of Iron atom in the Cytochrome C3 From Desulfovibrio Desulfuricans Atcc 27774P (pdb code 3cyr). 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 Atcc 27774P, PDB code: 3cyr:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Cytochrome C3 From Desulfovibrio Desulfuricans Atcc 27774P


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 Atcc 27774P within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:12.3 occ:1.00 FE A:HEM201 0.0 12.3 1.0 NC A:HEM201 2.0 10.1 1.0 ND A:HEM201 2.0 11.2 1.0 NA A:HEM201 2.0 11.0 1.0 NB A:HEM201 2.0 13.5 1.0 NE2 A:HIS34 2.0 13.3 1.0 NE2 A:HIS22 2.1 12.0 1.0 CE1 A:HIS34 3.0 11.0 1.0 C4A A:HEM201 3.0 14.1 1.0 C1A A:HEM201 3.0 14.2 1.0 C1C A:HEM201 3.0 12.0 1.0 CE1 A:HIS22 3.1 11.2 1.0 C1B A:HEM201 3.1 14.4 1.0 C4C A:HEM201 3.1 11.1 1.0 C4D A:HEM201 3.1 12.3 1.0 C1D A:HEM201 3.1 11.0 1.0 CD2 A:HIS34 3.1 11.6 1.0 C4B A:HEM201 3.1 12.6 1.0 CD2 A:HIS22 3.2 12.7 1.0 CHB A:HEM201 3.4 15.1 1.0 CHD A:HEM201 3.4 10.0 1.0 CHA A:HEM201 3.4 11.8 1.0 CHC A:HEM201 3.5 11.0 1.0 ND1 A:HIS34 4.2 11.0 1.0 ND1 A:HIS22 4.2 9.2 1.0 CG A:HIS34 4.2 9.2 1.0 C2C A:HEM201 4.2 9.5 1.0 C3A A:HEM201 4.2 18.7 1.0 C2A A:HEM201 4.3 17.5 1.0 CG A:HIS22 4.3 10.0 1.0 C2B A:HEM201 4.3 15.8 1.0 C3D A:HEM201 4.3 12.4 1.0 C2D A:HEM201 4.3 12.5 1.0 C3C A:HEM201 4.3 9.8 1.0 C3B A:HEM201 4.4 15.1 1.0 CE2 A:PHE20 4.8 11.4 1.0

Iron binding site 2 out of 4 in the Cytochrome C3 From Desulfovibrio Desulfuricans Atcc 27774P


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 Atcc 27774P within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:15.5 occ:1.00 FE A:HEM202 0.0 15.5 1.0 NA A:HEM202 2.0 16.0 1.0 NE2 A:HIS52 2.0 16.8 1.0 ND A:HEM202 2.0 14.7 1.0 NE2 A:HIS35 2.0 15.5 1.0 NC A:HEM202 2.0 16.8 1.0 NB A:HEM202 2.0 16.0 1.0 CE1 A:HIS35 2.9 15.4 1.0 CE1 A:HIS52 3.0 17.9 1.0 C1D A:HEM202 3.0 16.6 1.0 C1A A:HEM202 3.0 15.5 1.0 C4A A:HEM202 3.0 14.8 1.0 C4D A:HEM202 3.0 19.0 1.0 CD2 A:HIS52 3.0 18.6 1.0 C1C A:HEM202 3.1 15.7 1.0 C4C A:HEM202 3.1 18.7 1.0 C1B A:HEM202 3.1 15.7 1.0 C4B A:HEM202 3.1 13.3 1.0 CD2 A:HIS35 3.1 15.2 1.0 CHA A:HEM202 3.4 16.7 1.0 CHD A:HEM202 3.4 19.7 1.0 CHC A:HEM202 3.4 11.8 1.0 CHB A:HEM202 3.4 15.1 1.0 ND1 A:HIS35 4.1 15.6 1.0 ND1 A:HIS52 4.1 17.3 1.0 CG A:HIS52 4.2 15.9 1.0 CG A:HIS35 4.2 15.7 1.0 C2A A:HEM202 4.2 16.1 1.0 C2D A:HEM202 4.2 23.3 1.0 C3D A:HEM202 4.2 24.3 1.0 C3A A:HEM202 4.3 14.7 1.0 C2B A:HEM202 4.3 14.4 1.0 C2C A:HEM202 4.3 15.2 1.0 C3C A:HEM202 4.3 15.8 1.0 C3B A:HEM202 4.3 15.7 1.0

Iron binding site 3 out of 4 in the Cytochrome C3 From Desulfovibrio Desulfuricans Atcc 27774P


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 Atcc 27774P within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:10.5 occ:1.00 FE A:HEM203 0.0 10.5 1.0 ND A:HEM203 2.0 8.7 1.0 NA A:HEM203 2.0 10.1 1.0 NC A:HEM203 2.0 11.2 1.0 NB A:HEM203 2.0 9.2 1.0 NE2 A:HIS25 2.1 10.8 1.0 NE2 A:HIS83 2.1 9.3 1.0 CE1 A:HIS83 3.0 10.2 1.0 C4D A:HEM203 3.0 11.8 1.0 C1C A:HEM203 3.0 10.7 1.0 C1A A:HEM203 3.0 11.0 1.0 CD2 A:HIS25 3.0 10.6 1.0 CE1 A:HIS25 3.0 12.9 1.0 C1D A:HEM203 3.1 12.5 1.0 C1B A:HEM203 3.1 11.4 1.0 C4A A:HEM203 3.1 12.0 1.0 C4B A:HEM203 3.1 8.9 1.0 C4C A:HEM203 3.1 11.1 1.0 CD2 A:HIS83 3.1 10.0 1.0 CHA A:HEM203 3.4 11.5 1.0 CHC A:HEM203 3.4 9.5 1.0 CHD A:HEM203 3.4 10.7 1.0 CHB A:HEM203 3.5 10.7 1.0 ND1 A:HIS25 4.1 11.2 1.0 ND1 A:HIS83 4.2 8.9 1.0 CG A:HIS25 4.2 10.1 1.0 CG A:HIS83 4.2 9.2 1.0 C2D A:HEM203 4.3 11.2 1.0 C3D A:HEM203 4.3 11.9 1.0 C2A A:HEM203 4.3 13.6 1.0 C3A A:HEM203 4.3 12.3 1.0 C2C A:HEM203 4.3 11.9 1.0 C2B A:HEM203 4.3 10.6 1.0 C3C A:HEM203 4.3 10.2 1.0 C3B A:HEM203 4.3 9.8 1.0

Iron binding site 4 out of 4 in the Cytochrome C3 From Desulfovibrio Desulfuricans Atcc 27774P


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 Atcc 27774P within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe204 b:12.4 occ:1.00 FE A:HEM204 0.0 12.4 1.0 ND A:HEM204 2.0 10.6 1.0 NB A:HEM204 2.0 12.8 1.0 NA A:HEM204 2.0 14.3 1.0 NC A:HEM204 2.0 9.6 1.0 NE2 A:HIS106 2.1 14.5 1.0 NE2 A:HIS69 2.1 13.1 1.0 CE1 A:HIS106 3.0 12.7 1.0 C1D A:HEM204 3.0 8.8 1.0 C4C A:HEM204 3.1 10.0 1.0 C1B A:HEM204 3.1 19.3 1.0 C4A A:HEM204 3.1 15.8 1.0 C1A A:HEM204 3.1 15.0 1.0 C4D A:HEM204 3.1 12.9 1.0 C1C A:HEM204 3.1 12.7 1.0 CD2 A:HIS69 3.1 14.9 1.0 CE1 A:HIS69 3.1 12.2 1.0 C4B A:HEM204 3.1 14.3 1.0 CD2 A:HIS106 3.1 12.2 1.0 CHB A:HEM204 3.4 17.9 1.0 CHD A:HEM204 3.4 11.5 1.0 CHA A:HEM204 3.4 13.3 1.0 CHC A:HEM204 3.4 13.8 1.0 ND1 A:HIS106 4.1 15.0 1.0 ND1 A:HIS69 4.2 12.1 1.0 CG A:HIS69 4.2 12.3 1.0 CG A:HIS106 4.2 11.6 1.0 C3A A:HEM204 4.3 12.6 1.0 C2C A:HEM204 4.3 13.1 1.0 C3D A:HEM204 4.3 12.3 1.0 C2D A:HEM204 4.3 11.0 1.0 C2B A:HEM204 4.3 14.3 1.0 C2A A:HEM204 4.3 11.7 1.0 C3C A:HEM204 4.3 9.7 1.0 C3B A:HEM204 4.4 13.9 1.0 O A:HOH221 4.8 28.7 1.0

P.Simoes, P.M.Matias, J.Morais, K.Wilson, Z.Dauter, M.A.Carrondo. Refinement of the Three-Dimensional Structures of Cytochrome C3 From Desulfovibrio Vulgaris Hildenborough at 1.67 Angstroms Resolution and From Desulfovibrio Desulfuricans Atcc 27774 at 1.6 Angstroms Resolution Inorg.Chim.Acta. V. 273 213 1998.
ISSN: ISSN 0020-1693