Iron in PDB 6rgi: Partially Unfolded Cytochrome C in Complex with Sulfonatocalix[6]Arene

The structure of Partially Unfolded Cytochrome C in Complex with Sulfonatocalix[6]Arene, PDB code: 6rgi was solved by S.Engilberge, M.L.Rennie, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.02 / 2.64
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.762, 74.762, 60.033, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 25

The binding sites of Iron atom in the Partially Unfolded Cytochrome C in Complex with Sulfonatocalix[6]Arene (pdb code 6rgi). 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 Partially Unfolded Cytochrome C in Complex with Sulfonatocalix[6]Arene, PDB code: 6rgi:

Iron binding site 1 out of 1 in the Partially Unfolded Cytochrome C in Complex with Sulfonatocalix[6]Arene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Partially Unfolded Cytochrome C in Complex with Sulfonatocalix[6]Arene within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:76.0 occ:1.00 FE A:HEC201 0.0 76.0 1.0 NA A:HEC201 1.9 76.8 1.0 ND A:HEC201 1.9 80.1 1.0 NB A:HEC201 1.9 72.5 1.0 NC A:HEC201 2.0 76.2 1.0 N3 A:IMD203 2.2 88.9 1.0 NE2 A:HIS18 2.2 70.4 1.0 C1D A:HEC201 2.9 82.4 1.0 C4B A:HEC201 2.9 71.7 1.0 C4D A:HEC201 3.0 82.6 1.0 C1B A:HEC201 3.0 71.9 1.0 C1A A:HEC201 3.0 79.7 1.0 C1C A:HEC201 3.0 74.6 1.0 C4A A:HEC201 3.0 75.4 1.0 C4C A:HEC201 3.0 78.9 1.0 C2 A:IMD203 3.1 89.3 1.0 CE1 A:HIS18 3.2 71.8 1.0 CD2 A:HIS18 3.2 69.8 1.0 C4 A:IMD203 3.3 89.6 1.0 CHA A:HEC201 3.4 82.7 1.0 CHC A:HEC201 3.4 73.1 1.0 CHD A:HEC201 3.4 82.3 1.0 CHB A:HEC201 3.4 73.5 1.0 C2A A:HEC201 4.2 80.4 1.0 C2B A:HEC201 4.2 70.3 1.0 C3A A:HEC201 4.2 77.9 1.0 C2C A:HEC201 4.2 76.8 1.0 C3B A:HEC201 4.2 70.4 1.0 C2D A:HEC201 4.2 86.4 1.0 C3C A:HEC201 4.2 79.4 1.0 N1 A:IMD203 4.3 90.3 1.0 C3D A:HEC201 4.3 86.7 1.0 ND1 A:HIS18 4.3 73.1 1.0 CG A:HIS18 4.3 70.1 1.0 C5 A:IMD203 4.4 90.2 1.0 OH A:TYR67 4.8 0.1 1.0

S.Engilberge, M.L.Rennie, P.B.Crowley. Calixarene Capture of Partially Unfolded Cytochrome C. Febs Lett. V. 593 2112 2019.
ISSN: ISSN 0014-5793
PubMed: 31254353
DOI: 10.1002/1873-3468.13512