Iron in PDB 6rsj: Cytochrome C Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and Soaked with 25 Eq. Spermine - Structure I

The structure of Cytochrome C Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and Soaked with 25 Eq. Spermine - Structure I, PDB code: 6rsj 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)	54.99 / 2.27
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	101.452, 101.452, 85.612, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 21.2

The binding sites of Iron atom in the Cytochrome C Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and Soaked with 25 Eq. Spermine - Structure I (pdb code 6rsj). 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 Cytochrome C Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and Soaked with 25 Eq. Spermine - Structure I, PDB code: 6rsj:

Iron binding site 1 out of 1 in the Cytochrome C Co-Crystallized with 20 Eq. Sulfonato-Calix[8]Arene and Soaked with 25 Eq. Spermine - Structure I


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 Soaked with 25 Eq. Spermine - Structure I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:44.8 occ:1.00 FE A:HEC201 0.0 44.8 1.0 NC A:HEC201 1.9 45.0 1.0 ND A:HEC201 1.9 46.4 1.0 NB A:HEC201 2.0 44.7 1.0 NA A:HEC201 2.0 44.9 1.0 NE2 A:HIS18 2.1 42.2 1.0 O A:HOH357 2.1 43.0 1.0 C1C A:HEC201 3.0 43.5 1.0 CE1 A:HIS18 3.0 41.7 1.0 C4C A:HEC201 3.0 43.7 1.0 C1D A:HEC201 3.0 43.9 1.0 C4A A:HEC201 3.0 43.3 1.0 C1B A:HEC201 3.0 43.3 1.0 C4B A:HEC201 3.0 43.2 1.0 C1A A:HEC201 3.0 43.5 1.0 C4D A:HEC201 3.1 43.8 1.0 CD2 A:HIS18 3.1 42.5 1.0 CHC A:HEC201 3.4 43.4 1.0 CHD A:HEC201 3.5 44.2 1.0 CHB A:HEC201 3.5 43.5 1.0 CHA A:HEC201 3.5 44.1 1.0 ND1 A:HIS18 4.2 43.1 1.0 CG A:HIS18 4.2 42.4 1.0 C2C A:HEC201 4.2 43.9 1.0 C2D A:HEC201 4.2 44.5 1.0 C3D A:HEC201 4.2 44.7 1.0 C2A A:HEC201 4.3 43.8 1.0 C2B A:HEC201 4.3 43.5 1.0 C3A A:HEC201 4.3 43.7 1.0 C3C A:HEC201 4.3 44.1 1.0 C3B A:HEC201 4.3 43.4 1.0 OH A:TYR67 4.6 49.8 1.0 CE A:MET80 4.7 58.3 1.0 SD A:MET80 4.9 62.6 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