Iron in PDB 6s8y: Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer

The structure of Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer, PDB code: 6s8y was solved by J.M.Alex, V.Corvaglia, X.Hu, S.Engilberge, I.Huc, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.90 / 2.09
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	39.138, 39.138, 187.366, 90.00, 90.00, 120.00
R / Rfree (%)	22.5 / 26.7

The structure of Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Iron atom in the Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer (pdb code 6s8y). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer, PDB code: 6s8y:

Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer


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 Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:54.2 occ:1.00 FE A:HEC201 0.0 54.2 1.0 NA A:HEC201 1.9 54.4 1.0 NC A:HEC201 2.0 54.2 1.0 NB A:HEC201 2.0 53.9 1.0 ND A:HEC201 2.0 54.3 1.0 NE2 A:HIS18 2.1 49.1 1.0 SD A:MET80 2.4 58.2 1.0 C4A A:HEC201 3.0 54.3 1.0 C1B A:HEC201 3.0 54.2 1.0 C4B A:HEC201 3.0 54.2 1.0 C1D A:HEC201 3.0 54.7 1.0 C1A A:HEC201 3.0 54.5 1.0 C1C A:HEC201 3.0 54.2 1.0 C4C A:HEC201 3.1 54.5 1.0 C4D A:HEC201 3.1 54.7 1.0 CE1 A:HIS18 3.1 48.4 1.0 CD2 A:HIS18 3.1 49.3 1.0 CHB A:HEC201 3.3 54.6 1.0 CHC A:HEC201 3.4 54.8 1.0 CE A:MET80 3.4 55.4 1.0 CHD A:HEC201 3.4 55.2 1.0 CHA A:HEC201 3.5 54.9 1.0 CG A:MET80 3.5 59.3 1.0 C3A A:HEC201 4.2 54.8 1.0 C2A A:HEC201 4.2 54.8 1.0 CB A:MET80 4.2 60.7 1.0 ND1 A:HIS18 4.2 49.1 1.0 C2B A:HEC201 4.2 54.4 1.0 CG A:HIS18 4.2 48.1 1.0 C2C A:HEC201 4.3 54.8 1.0 C3B A:HEC201 4.3 54.6 1.0 C3C A:HEC201 4.3 54.9 1.0 C2D A:HEC201 4.3 55.1 1.0 C3D A:HEC201 4.3 55.2 1.0 OH A:TYR67 4.8 57.7 1.0

J.M.Alex, V.Corvaglia, X.Hu, S.Engilberge, I.Huc, P.B.Crowley. Crystal Structure of A Protein-Aromatic Foldamer Composite: Macromolecular Chiral Resolution. Chem.Commun.(Camb.) V. 55 11087 2019.
ISSN: ESSN 1364-548X
PubMed: 31460523
DOI: 10.1039/C9CC05330A