Iron in PDB 5klu: Crystal Structure of A Domain-Swapped Dimer of Yeast Iso-1-Cytochrome C with Omega-Undecylenyl-Beta-D-Maltopyranoside

The structure of Crystal Structure of A Domain-Swapped Dimer of Yeast Iso-1-Cytochrome C with Omega-Undecylenyl-Beta-D-Maltopyranoside, PDB code: 5klu was solved by B.E.Bowler, F.G.Whitby, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.08 / 1.99
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.489, 61.438, 74.165, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 25.6

The binding sites of Iron atom in the Crystal Structure of A Domain-Swapped Dimer of Yeast Iso-1-Cytochrome C with Omega-Undecylenyl-Beta-D-Maltopyranoside (pdb code 5klu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of A Domain-Swapped Dimer of Yeast Iso-1-Cytochrome C with Omega-Undecylenyl-Beta-D-Maltopyranoside, PDB code: 5klu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of A Domain-Swapped Dimer of Yeast Iso-1-Cytochrome C with Omega-Undecylenyl-Beta-D-Maltopyranoside


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of A Domain-Swapped Dimer of Yeast Iso-1-Cytochrome C with Omega-Undecylenyl-Beta-D-Maltopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:29.4 occ:1.00 FE A:HEM201 0.0 29.4 1.0 O A:HOH317 2.0 32.0 1.0 NA A:HEM201 2.0 28.9 1.0 NC A:HEM201 2.0 28.8 1.0 NB A:HEM201 2.0 29.3 1.0 NE2 A:HIS18 2.0 26.3 1.0 ND A:HEM201 2.0 29.9 1.0 CD2 A:HIS18 2.9 29.0 1.0 C1B A:HEM201 3.0 29.0 1.0 C4C A:HEM201 3.0 29.0 1.0 C4A A:HEM201 3.0 31.8 1.0 C1A A:HEM201 3.0 28.8 1.0 C1D A:HEM201 3.0 30.1 1.0 C4B A:HEM201 3.1 31.9 1.0 C1C A:HEM201 3.1 36.5 1.0 C4D A:HEM201 3.1 29.9 1.0 CE1 A:HIS18 3.1 30.2 1.0 CHD A:HEM201 3.3 31.6 1.0 CHB A:HEM201 3.4 30.4 1.0 CHA A:HEM201 3.4 30.0 1.0 CHC A:HEM201 3.5 30.9 1.0 CG A:HIS18 4.1 31.5 1.0 ND1 A:HIS18 4.2 28.0 1.0 C2B A:HEM201 4.2 32.5 1.0 C3B A:HEM201 4.2 27.4 1.0 C3C A:HEM201 4.3 33.8 1.0 C3A A:HEM201 4.3 31.8 1.0 C2A A:HEM201 4.3 28.7 1.0 C2D A:HEM201 4.3 33.4 1.0 C2C A:HEM201 4.3 35.8 1.0 C3D A:HEM201 4.3 30.3 1.0 O B:PHE82 4.4 36.0 1.0 OH A:TYR67 4.5 33.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of A Domain-Swapped Dimer of Yeast Iso-1-Cytochrome C with Omega-Undecylenyl-Beta-D-Maltopyranoside


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of A Domain-Swapped Dimer of Yeast Iso-1-Cytochrome C with Omega-Undecylenyl-Beta-D-Maltopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:73.3 occ:1.00 FE B:HEM201 0.0 73.3 1.0 NB B:HEM201 2.0 74.9 1.0 NA B:HEM201 2.0 82.3 1.0 NC B:HEM201 2.0 75.1 1.0 ND B:HEM201 2.0 78.4 1.0 NE2 B:HIS18 2.0 64.7 1.0 O B:HOH306 2.1 63.7 1.0 CE1 B:HIS18 3.0 69.2 1.0 C1B B:HEM201 3.0 79.1 1.0 C1D B:HEM201 3.0 74.2 1.0 C4A B:HEM201 3.0 83.6 1.0 C4B B:HEM201 3.0 74.4 1.0 C4D B:HEM201 3.0 78.1 1.0 C4C B:HEM201 3.0 72.9 1.0 C1A B:HEM201 3.0 84.3 1.0 C1C B:HEM201 3.0 73.5 1.0 CD2 B:HIS18 3.1 66.4 1.0 CHD B:HEM201 3.4 70.8 1.0 CHB B:HEM201 3.4 84.8 1.0 CHA B:HEM201 3.4 83.0 1.0 CHC B:HEM201 3.4 72.1 1.0 ND1 B:HIS18 4.1 72.4 1.0 CG B:HIS18 4.2 74.7 1.0 C3B B:HEM201 4.2 77.7 1.0 C2B B:HEM201 4.2 80.2 1.0 C2D B:HEM201 4.2 78.2 1.0 C3C B:HEM201 4.2 74.8 1.0 C3A B:HEM201 4.3 86.2 1.0 C2A B:HEM201 4.3 86.7 1.0 C3D B:HEM201 4.3 77.3 1.0 O A:PHE82 4.3 78.8 1.0 C2C B:HEM201 4.3 75.4 1.0 OH B:TYR67 4.6 89.5 1.0

L.J.Mcclelland, H.B.Steele, F.G.Whitby, T.C.Mou, D.Holley, J.B.Ross, S.R.Sprang, B.E.Bowler. Cytochrome C Can Form A Well-Defined Binding Pocket For Hydrocarbons. J. Am. Chem. Soc. V. 138 16770 2016.
ISSN: ESSN 1520-5126
PubMed: 27990813
DOI: 10.1021/JACS.6B10745