Iron in PDB 6rsk: Cytochrome C Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and 15 Eq. Spermine - Structure II

The structure of Cytochrome C Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and 15 Eq. Spermine - Structure II, PDB code: 6rsk was solved by S.Engilberge, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.84 / 2.31
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	100.459, 100.459, 89.539, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.2

The binding sites of Iron atom in the Cytochrome C Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and 15 Eq. Spermine - Structure II (pdb code 6rsk). 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 Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and 15 Eq. Spermine - Structure II, PDB code: 6rsk:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cytochrome C Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and 15 Eq. Spermine - Structure II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome C Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and 15 Eq. Spermine - Structure II within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:30.4 occ:1.00 FE A:HEC201 0.0 30.4 1.0 NA A:HEC201 1.9 29.5 1.0 NC A:HEC201 2.0 30.8 1.0 ND A:HEC201 2.0 29.0 1.0 NB A:HEC201 2.0 29.1 1.0 NE2 A:HIS18 2.0 24.2 1.0 O A:HOH338 2.1 27.8 1.0 CE1 A:HIS18 2.9 25.0 1.0 C4C A:HEC201 3.0 28.2 1.0 C1D A:HEC201 3.0 28.4 1.0 C4B A:HEC201 3.0 27.6 1.0 C4A A:HEC201 3.0 27.8 1.0 C1A A:HEC201 3.0 28.1 1.0 C1C A:HEC201 3.0 27.9 1.0 C1B A:HEC201 3.0 27.8 1.0 C4D A:HEC201 3.1 28.4 1.0 CD2 A:HIS18 3.1 23.3 1.0 CHC A:HEC201 3.4 27.8 1.0 CHD A:HEC201 3.5 28.6 1.0 CHB A:HEC201 3.5 27.9 1.0 CHA A:HEC201 3.5 28.7 1.0 ND1 A:HIS18 4.1 25.8 1.0 CG A:HIS18 4.1 26.4 1.0 C2D A:HEC201 4.2 29.0 1.0 C3D A:HEC201 4.2 29.2 1.0 C2B A:HEC201 4.2 28.0 1.0 C3C A:HEC201 4.2 28.6 1.0 C2A A:HEC201 4.2 28.4 1.0 C3A A:HEC201 4.2 28.3 1.0 C2C A:HEC201 4.2 28.4 1.0 C3B A:HEC201 4.3 27.8 1.0 OH A:TYR67 4.5 24.9 1.0 CE A:MET80 4.7 36.3 1.0 SD A:MET80 5.0 41.0 1.0

Iron binding site 2 out of 2 in the Cytochrome C Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and 15 Eq. Spermine - Structure II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome C Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and 15 Eq. Spermine - Structure II within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:51.1 occ:1.00 FE B:HEC201 0.0 51.1 1.0 NA B:HEC201 1.9 49.0 1.0 ND B:HEC201 1.9 47.6 1.0 NC B:HEC201 1.9 49.0 1.0 NB B:HEC201 2.0 49.7 1.0 O B:HOH314 2.1 58.9 1.0 NE2 B:HIS18 2.1 41.6 1.0 C1A B:HEC201 3.0 48.6 1.0 C4A B:HEC201 3.0 48.6 1.0 C4D B:HEC201 3.0 48.9 1.0 C1D B:HEC201 3.0 48.9 1.0 C4C B:HEC201 3.0 48.8 1.0 CE1 B:HIS18 3.0 40.6 1.0 C1C B:HEC201 3.0 48.7 1.0 C4B B:HEC201 3.0 48.5 1.0 C1B B:HEC201 3.0 48.6 1.0 CD2 B:HIS18 3.2 42.6 1.0 CHA B:HEC201 3.4 49.2 1.0 CHC B:HEC201 3.5 48.6 1.0 CHD B:HEC201 3.5 49.2 1.0 CHB B:HEC201 3.5 48.7 1.0 C2A B:HEC201 4.2 49.0 1.0 C3A B:HEC201 4.2 48.9 1.0 ND1 B:HIS18 4.2 38.3 1.0 C3D B:HEC201 4.2 49.7 1.0 C2D B:HEC201 4.2 49.5 1.0 C2C B:HEC201 4.2 49.0 1.0 C3C B:HEC201 4.3 49.2 1.0 CG B:HIS18 4.3 41.1 1.0 C2B B:HEC201 4.3 48.9 1.0 OH B:TYR67 4.3 52.5 1.0 C3B B:HEC201 4.3 48.7 1.0 CE B:MET80 4.8 58.4 1.0 SD B:MET80 5.0 63.4 1.0

S.Engilberge, M.L.Rennie, E.Dumont, P.B.Crowley. Tuning Protein Frameworks Via Auxiliary Supramolecular Interactions. Acs Nano V. 13 10343 2019.
ISSN: ESSN 1936-086X
PubMed: 31490058
DOI: 10.1021/ACSNANO.9B04115