Iron in PDB 1w7o: Cytochrome C3 From Desulfomicrobium Baculatus

The structure of Cytochrome C3 From Desulfomicrobium Baculatus, PDB code: 1w7o was solved by A.V.Coelho, C.Frazao, P.M.Matias, M.A.Carrondo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.41 / 1.81
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	43.000, 43.000, 64.700, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 19.9

The binding sites of Iron atom in the Cytochrome C3 From Desulfomicrobium Baculatus (pdb code 1w7o). 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 Desulfomicrobium Baculatus, PDB code: 1w7o:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Cytochrome C3 From Desulfomicrobium Baculatus


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 Desulfomicrobium Baculatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1119 b:14.3 occ:1.00 FE A:HEC1119 0.0 14.3 1.0 NC A:HEC1119 2.0 14.1 1.0 NE2 A:HIS48 2.0 13.9 1.0 NA A:HEC1119 2.0 15.4 1.0 NB A:HEC1119 2.0 13.6 1.0 ND A:HEC1119 2.0 15.2 1.0 NE2 A:HIS36 2.0 13.7 1.0 CE1 A:HIS48 3.0 17.5 1.0 CD2 A:HIS36 3.0 13.5 1.0 C4B A:HEC1119 3.0 14.6 1.0 C1D A:HEC1119 3.0 15.5 1.0 C4C A:HEC1119 3.0 12.8 1.0 CD2 A:HIS48 3.0 18.1 1.0 C1C A:HEC1119 3.0 13.2 1.0 C4A A:HEC1119 3.0 16.3 1.0 C1B A:HEC1119 3.0 15.6 1.0 C1A A:HEC1119 3.0 15.0 1.0 CE1 A:HIS36 3.0 17.0 1.0 C4D A:HEC1119 3.1 15.6 1.0 CHD A:HEC1119 3.4 12.0 1.0 CHC A:HEC1119 3.4 14.7 1.0 CHA A:HEC1119 3.4 11.4 1.0 CHB A:HEC1119 3.4 13.2 1.0 ND1 A:HIS48 4.1 15.1 1.0 CG A:HIS36 4.1 14.8 1.0 ND1 A:HIS36 4.1 14.1 1.0 CG A:HIS48 4.1 12.8 1.0 C2B A:HEC1119 4.2 15.9 1.0 C2C A:HEC1119 4.2 12.9 1.0 C3B A:HEC1119 4.2 16.2 1.0 C2A A:HEC1119 4.2 17.9 1.0 C3A A:HEC1119 4.2 17.5 1.0 C3C A:HEC1119 4.2 14.9 1.0 C2D A:HEC1119 4.2 14.4 1.0 C3D A:HEC1119 4.3 14.2 1.0 CE1 A:PHE34 4.6 16.9 1.0

Iron binding site 2 out of 4 in the Cytochrome C3 From Desulfomicrobium Baculatus


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 Desulfomicrobium Baculatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1120 b:20.1 occ:1.00 FE A:HEC1120 0.0 20.1 1.0 NB A:HEC1120 2.0 16.3 1.0 NA A:HEC1120 2.0 19.7 1.0 NE2 A:HIS67 2.0 19.2 1.0 ND A:HEC1120 2.0 24.2 1.0 NE2 A:HIS49 2.0 20.3 1.0 NC A:HEC1120 2.1 21.9 1.0 CE1 A:HIS67 2.9 20.9 1.0 C1B A:HEC1120 2.9 17.4 1.0 C4A A:HEC1120 3.0 19.7 1.0 CD2 A:HIS67 3.0 20.0 1.0 CE1 A:HIS49 3.0 21.4 1.0 C4B A:HEC1120 3.0 14.7 1.0 C1D A:HEC1120 3.0 22.4 1.0 CD2 A:HIS49 3.0 16.8 1.0 C4D A:HEC1120 3.1 23.8 1.0 C1A A:HEC1120 3.1 22.5 1.0 C4C A:HEC1120 3.1 23.3 1.0 C1C A:HEC1120 3.1 21.8 1.0 CHB A:HEC1120 3.3 17.4 1.0 CHD A:HEC1120 3.4 25.0 1.0 CHA A:HEC1120 3.4 25.6 1.0 CHC A:HEC1120 3.4 20.8 1.0 ND1 A:HIS67 4.1 20.1 1.0 CG A:HIS67 4.1 21.2 1.0 ND1 A:HIS49 4.1 19.3 1.0 C2B A:HEC1120 4.2 15.3 1.0 CG A:HIS49 4.2 17.4 1.0 C3B A:HEC1120 4.2 15.3 1.0 C3A A:HEC1120 4.2 22.7 1.0 C2D A:HEC1120 4.3 28.3 1.0 C2A A:HEC1120 4.3 21.7 1.0 C3D A:HEC1120 4.3 30.4 1.0 C2C A:HEC1120 4.3 21.9 1.0 C3C A:HEC1120 4.3 23.6 1.0

Iron binding site 3 out of 4 in the Cytochrome C3 From Desulfomicrobium Baculatus


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 Desulfomicrobium Baculatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1121 b:15.8 occ:1.00 FE A:HEC1121 0.0 15.8 1.0 NB A:HEC1121 2.0 14.1 1.0 NC A:HEC1121 2.0 15.7 1.0 NE2 A:HIS39 2.0 15.2 1.0 NA A:HEC1121 2.0 16.0 1.0 NE2 A:HIS96 2.0 17.3 1.0 ND A:HEC1121 2.0 19.0 1.0 CD2 A:HIS39 2.9 15.0 1.0 CE1 A:HIS96 2.9 16.6 1.0 C4B A:HEC1121 3.0 13.5 1.0 C1B A:HEC1121 3.0 15.5 1.0 C4A A:HEC1121 3.0 15.2 1.0 C1C A:HEC1121 3.0 16.6 1.0 CE1 A:HIS39 3.0 16.2 1.0 C4D A:HEC1121 3.0 17.8 1.0 C1A A:HEC1121 3.0 18.9 1.0 C4C A:HEC1121 3.0 15.2 1.0 C1D A:HEC1121 3.1 18.9 1.0 CD2 A:HIS96 3.1 18.3 1.0 CHB A:HEC1121 3.4 14.6 1.0 CHA A:HEC1121 3.4 22.1 1.0 CHC A:HEC1121 3.4 13.8 1.0 CHD A:HEC1121 3.4 17.3 1.0 ND1 A:HIS96 4.1 17.6 1.0 CG A:HIS39 4.1 15.4 1.0 ND1 A:HIS39 4.1 14.7 1.0 CG A:HIS96 4.2 20.8 1.0 C3B A:HEC1121 4.2 13.1 1.0 C2B A:HEC1121 4.2 12.7 1.0 C3A A:HEC1121 4.2 18.7 1.0 C2A A:HEC1121 4.3 21.2 1.0 C3C A:HEC1121 4.3 16.6 1.0 C2C A:HEC1121 4.3 17.4 1.0 C3D A:HEC1121 4.3 22.3 1.0 C2D A:HEC1121 4.3 18.0 1.0 CA A:GLY107 4.7 21.8 1.0 CE2 A:PHE34 5.0 14.7 1.0 N A:GLY107 5.0 23.0 1.0

Iron binding site 4 out of 4 in the Cytochrome C3 From Desulfomicrobium Baculatus


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 Desulfomicrobium Baculatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1122 b:16.8 occ:1.00 FE A:HEC1122 0.0 16.8 1.0 NE2 A:HIS89 2.0 15.4 1.0 NC A:HEC1122 2.0 14.2 1.0 NE2 A:HIS115 2.0 18.0 1.0 NA A:HEC1122 2.0 17.8 1.0 ND A:HEC1122 2.0 16.1 1.0 NB A:HEC1122 2.1 15.2 1.0 CE1 A:HIS115 2.9 18.9 1.0 CE1 A:HIS89 3.0 19.3 1.0 CD2 A:HIS89 3.0 17.0 1.0 C4C A:HEC1122 3.0 13.8 1.0 C1C A:HEC1122 3.0 18.2 1.0 C1A A:HEC1122 3.0 19.1 1.0 C1D A:HEC1122 3.0 15.0 1.0 C4D A:HEC1122 3.0 17.0 1.0 C4A A:HEC1122 3.1 18.4 1.0 C1B A:HEC1122 3.1 17.9 1.0 C4B A:HEC1122 3.1 18.4 1.0 CD2 A:HIS115 3.1 18.8 1.0 CHD A:HEC1122 3.4 13.6 1.0 CHB A:HEC1122 3.4 21.0 1.0 CHA A:HEC1122 3.4 18.0 1.0 CHC A:HEC1122 3.4 17.5 1.0 ND1 A:HIS115 4.0 18.7 1.0 ND1 A:HIS89 4.1 17.5 1.0 CG A:HIS89 4.1 15.2 1.0 CG A:HIS115 4.2 18.5 1.0 C2C A:HEC1122 4.2 16.4 1.0 C3C A:HEC1122 4.2 14.5 1.0 C2D A:HEC1122 4.3 15.7 1.0 C2A A:HEC1122 4.3 20.6 1.0 C3A A:HEC1122 4.3 18.8 1.0 C3D A:HEC1122 4.3 14.2 1.0 C2B A:HEC1122 4.3 15.5 1.0 C3B A:HEC1122 4.3 14.7 1.0

I.Correia, C.Paquete, A.V.Coelho, C.Almeida, T.Catarino, R.Louro, C.Frazao, L.Saraiva, M.A.Carrondo, D.Turner, A.Xavier. Proton-Assisted Two-Electron Transfer in Natural Variants of Tetraheme Cytochromes From Desulfomicrobium Sp J.Biol.Chem. V. 279 52227 2004.
ISSN: ISSN 0021-9258
PubMed: 15456779
DOI: 10.1074/JBC.M408763200