Iron in PDB 4ulv: Cytochrome C Prime From Shewanella Frigidimarina

The structure of Cytochrome C Prime From Shewanella Frigidimarina, PDB code: 4ulv was solved by A.A.Manole, D.Kekilli, P.S.Dobbin, M.A.Hough, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.30 / 1.29
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.409, 58.323, 76.122, 90.00, 90.00, 90.00
R / Rfree (%)	15.075 / 18.578

The binding sites of Iron atom in the Cytochrome C Prime From Shewanella Frigidimarina (pdb code 4ulv). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cytochrome C Prime From Shewanella Frigidimarina, PDB code: 4ulv:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cytochrome C Prime From Shewanella Frigidimarina


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome C Prime From Shewanella Frigidimarina within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe129 b:10.1 occ:1.00 FE A:HEC129 0.0 10.1 1.0 NB A:HEC129 2.1 9.9 1.0 ND A:HEC129 2.1 9.3 1.0 NA A:HEC129 2.1 9.7 1.0 NC A:HEC129 2.1 9.3 1.0 NE2 A:HIS122 2.2 11.4 1.0 C4A A:HEC129 3.1 9.5 1.0 C1D A:HEC129 3.1 9.8 1.0 C1B A:HEC129 3.1 9.8 1.0 C4C A:HEC129 3.1 9.3 1.0 C4B A:HEC129 3.1 9.1 1.0 C4D A:HEC129 3.1 10.7 1.0 C1A A:HEC129 3.1 9.5 1.0 CE1 A:HIS122 3.1 16.5 1.0 C1C A:HEC129 3.2 8.6 1.0 CD2 A:HIS122 3.2 9.9 1.0 CD1 A:PHE16 3.3 12.8 1.0 CHB A:HEC129 3.4 9.1 1.0 CE1 A:PHE16 3.4 13.1 1.0 CHD A:HEC129 3.4 8.7 1.0 CHC A:HEC129 3.4 9.4 1.0 CHA A:HEC129 3.4 10.8 1.0 CG A:PHE16 3.9 11.3 1.0 CZ A:PHE16 3.9 12.5 1.0 C3B A:HEC129 4.2 9.0 1.0 ND1 A:HIS122 4.3 15.7 1.0 CD2 A:PHE16 4.3 11.3 1.0 C2B A:HEC129 4.3 9.4 1.0 C3A A:HEC129 4.3 10.0 1.0 CG A:HIS122 4.3 10.0 1.0 C2D A:HEC129 4.3 9.9 1.0 C3D A:HEC129 4.3 9.7 1.0 C2A A:HEC129 4.3 10.6 1.0 CE2 A:PHE16 4.3 13.3 1.0 C2C A:HEC129 4.3 8.6 1.0 C3C A:HEC129 4.4 9.5 1.0 CB A:PHE16 4.6 11.4 1.0

Iron binding site 2 out of 2 in the Cytochrome C Prime From Shewanella Frigidimarina


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome C Prime From Shewanella Frigidimarina within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe129 b:10.5 occ:1.00 FE B:HEC129 0.0 10.5 1.0 NB B:HEC129 2.0 9.8 1.0 ND B:HEC129 2.0 9.8 1.0 NA B:HEC129 2.1 10.2 1.0 NC B:HEC129 2.1 9.6 1.0 NE2 B:HIS122 2.2 11.7 1.0 C1B B:HEC129 3.0 10.2 1.0 C1D B:HEC129 3.0 10.1 1.0 C4A B:HEC129 3.0 10.9 1.0 C4B B:HEC129 3.1 9.3 1.0 C4D B:HEC129 3.1 9.7 1.0 C4C B:HEC129 3.1 9.6 1.0 C1C B:HEC129 3.1 9.8 1.0 C1A B:HEC129 3.1 9.4 1.0 CE1 B:HIS122 3.1 13.4 1.0 CD2 B:HIS122 3.2 11.8 1.0 CHB B:HEC129 3.4 11.7 1.0 CD1 B:PHE16 3.4 12.1 1.0 CHC B:HEC129 3.4 10.8 1.0 CHA B:HEC129 3.4 10.1 1.0 CHD B:HEC129 3.4 8.5 1.0 CE1 B:PHE16 3.5 15.2 1.0 CG B:PHE16 3.8 12.3 1.0 CZ B:PHE16 3.8 16.7 1.0 CD2 B:PHE16 4.1 15.2 1.0 CE2 B:PHE16 4.2 16.6 1.0 C2D B:HEC129 4.3 10.1 1.0 C2B B:HEC129 4.3 10.3 1.0 ND1 B:HIS122 4.3 15.0 1.0 C3B B:HEC129 4.3 10.6 1.0 C3D B:HEC129 4.3 9.2 1.0 C3A B:HEC129 4.3 11.0 1.0 C2A B:HEC129 4.3 10.2 1.0 C2C B:HEC129 4.3 9.7 1.0 CG B:HIS122 4.3 10.8 1.0 C3C B:HEC129 4.3 10.1 1.0 CB B:PHE16 4.5 12.2 1.0 CD B:LYS126 4.9 15.0 1.0

A.Manole, D.Kekilli, D.A.Svistunenko, M.T.Wilson, P.S.Dobbin, M.A.Hough. Conformational Control of the Binding of Diatomic Gases to Cytochrome C'. J.Biol.Inorg.Chem. 2015.
ISSN: ESSN 1432-1327
PubMed: 25792378
DOI: 10.1007/S00775-015-1253-7