Iron in PDB 6suy: Yeast Cytochrome C in Complex with An Octa-Anionic Calix[4]Arene

The structure of Yeast Cytochrome C in Complex with An Octa-Anionic Calix[4]Arene, PDB code: 6suy was solved by J.M.Alex, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.62 / 1.75
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.489, 102.489, 72.180, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 17.9

The structure of Yeast Cytochrome C in Complex with An Octa-Anionic Calix[4]Arene also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Iron atom in the Yeast Cytochrome C in Complex with An Octa-Anionic Calix[4]Arene (pdb code 6suy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Yeast Cytochrome C in Complex with An Octa-Anionic Calix[4]Arene, PDB code: 6suy:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Yeast Cytochrome C in Complex with An Octa-Anionic Calix[4]Arene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Yeast Cytochrome C in Complex with An Octa-Anionic Calix[4]Arene within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:17.6 occ:1.00 FE A:HEC201 0.0 17.6 1.0 NC A:HEC201 2.0 17.5 1.0 NA A:HEC201 2.0 17.7 1.0 NB A:HEC201 2.0 17.2 1.0 ND A:HEC201 2.0 17.4 1.0 NE2 A:HIS18 2.1 19.3 1.0 SD A:MET80 2.3 18.1 1.0 C4C A:HEC201 3.0 17.7 1.0 C1A A:HEC201 3.0 17.8 1.0 C4D A:HEC201 3.0 17.7 1.0 C1B A:HEC201 3.0 17.6 1.0 C4B A:HEC201 3.0 17.5 1.0 C1D A:HEC201 3.0 17.8 1.0 C1C A:HEC201 3.0 17.4 1.0 CE1 A:HIS18 3.0 18.5 1.0 C4A A:HEC201 3.1 17.6 1.0 CD2 A:HIS18 3.1 19.9 1.0 CHA A:HEC201 3.4 18.2 1.0 CHC A:HEC201 3.4 18.1 1.0 CG A:MET80 3.4 16.7 1.0 CHD A:HEC201 3.4 18.3 1.0 CE A:MET80 3.4 16.5 1.0 CHB A:HEC201 3.4 18.0 1.0 ND1 A:HIS18 4.2 19.1 1.0 CG A:HIS18 4.2 18.4 1.0 C2A A:HEC201 4.2 18.1 1.0 C2C A:HEC201 4.2 18.0 1.0 C3C A:HEC201 4.2 18.1 1.0 CB A:MET80 4.2 15.6 1.0 C2B A:HEC201 4.2 17.7 1.0 C3A A:HEC201 4.3 18.1 1.0 C3B A:HEC201 4.3 18.0 1.0 C3D A:HEC201 4.3 18.1 1.0 C2D A:HEC201 4.3 18.1 1.0 OH A:TYR67 4.9 23.0 1.0

Iron binding site 2 out of 2 in the Yeast Cytochrome C in Complex with An Octa-Anionic Calix[4]Arene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Yeast Cytochrome C in Complex with An Octa-Anionic Calix[4]Arene within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:21.5 occ:1.00 FE B:HEC201 0.0 21.5 1.0 NC B:HEC201 2.0 21.5 1.0 ND B:HEC201 2.0 21.6 1.0 NA B:HEC201 2.0 21.6 1.0 NB B:HEC201 2.0 21.2 1.0 NE2 B:HIS18 2.1 21.5 1.0 SD B:MET80 2.3 23.8 1.0 C1D B:HEC201 3.0 21.9 1.0 C4D B:HEC201 3.0 21.9 1.0 C4C B:HEC201 3.0 21.8 1.0 C4B B:HEC201 3.0 21.5 1.0 C1B B:HEC201 3.0 21.5 1.0 C1A B:HEC201 3.0 21.8 1.0 C1C B:HEC201 3.0 21.4 1.0 CD2 B:HIS18 3.1 21.8 1.0 CE1 B:HIS18 3.1 21.3 1.0 C4A B:HEC201 3.1 21.6 1.0 CHA B:HEC201 3.4 22.2 1.0 CHD B:HEC201 3.4 22.4 1.0 CE B:MET80 3.4 20.6 1.0 CHC B:HEC201 3.4 22.1 1.0 CG B:MET80 3.4 23.0 1.0 CHB B:HEC201 3.4 22.0 1.0 CG B:HIS18 4.2 21.1 1.0 ND1 B:HIS18 4.2 21.9 1.0 C3C B:HEC201 4.2 22.2 1.0 C2C B:HEC201 4.2 22.1 1.0 CB B:MET80 4.2 22.3 1.0 C2A B:HEC201 4.2 22.1 1.0 C2B B:HEC201 4.2 21.6 1.0 C3A B:HEC201 4.2 22.1 1.0 C2D B:HEC201 4.3 22.3 1.0 C3D B:HEC201 4.3 22.3 1.0 C3B B:HEC201 4.3 21.8 1.0 OH B:TYR67 4.8 27.5 1.0

J.M.Alex, G.Brancatelli, S.Volpi, C.Bonaccorso, A.Casnati, S.Geremia, P.B.Crowley. Probing the Determinants of Porosity in Protein Frameworks: Co-Crystals of Cytochrome C and An Octa-Anionic Calix[4]Arene. Org.Biomol.Chem. V. 18 211 2020.
ISSN: ESSN 1477-0539
PubMed: 31808772
DOI: 10.1039/C9OB02275A