Iron in PDB 6rsl: Cytochrome C Co-Crystallized with 10 Eq. Sulfonato-Calix[8]Arene and 25 Eq. Spermine (Dry-Coating Method) - Structure III

The structure of Cytochrome C Co-Crystallized with 10 Eq. Sulfonato-Calix[8]Arene and 25 Eq. Spermine (Dry-Coating Method) - Structure III, PDB code: 6rsl 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)	56.38 / 1.99
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.036, 105.036, 86.622, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 26.5

The binding sites of Iron atom in the Cytochrome C Co-Crystallized with 10 Eq. Sulfonato-Calix[8]Arene and 25 Eq. Spermine (Dry-Coating Method) - Structure III (pdb code 6rsl). 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 10 Eq. Sulfonato-Calix[8]Arene and 25 Eq. Spermine (Dry-Coating Method) - Structure III, PDB code: 6rsl:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cytochrome C Co-Crystallized with 10 Eq. Sulfonato-Calix[8]Arene and 25 Eq. Spermine (Dry-Coating Method) - Structure III


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 10 Eq. Sulfonato-Calix[8]Arene and 25 Eq. Spermine (Dry-Coating Method) - Structure III within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:23.3 occ:1.00 FE A:HEC201 0.0 23.3 1.0 NA A:HEC201 2.0 18.4 1.0 NC A:HEC201 2.1 22.1 1.0 NB A:HEC201 2.1 20.7 1.0 ND A:HEC201 2.1 20.1 1.0 NE2 A:HIS18 2.1 32.2 1.0 O A:HOH386 2.3 25.3 1.0 C1A A:HEC201 3.0 22.0 1.0 C4A A:HEC201 3.0 21.6 1.0 CE1 A:HIS18 3.0 32.6 1.0 C1C A:HEC201 3.1 23.9 1.0 C4B A:HEC201 3.1 22.4 1.0 C1B A:HEC201 3.1 19.8 1.0 C4D A:HEC201 3.1 22.8 1.0 C4C A:HEC201 3.1 23.6 1.0 C1D A:HEC201 3.1 22.1 1.0 CD2 A:HIS18 3.2 32.4 1.0 CHA A:HEC201 3.4 20.7 1.0 CHC A:HEC201 3.4 25.2 1.0 CHB A:HEC201 3.4 20.1 1.0 CHD A:HEC201 3.5 22.6 1.0 ND1 A:HIS18 4.2 31.7 1.0 C2A A:HEC201 4.2 20.8 1.0 C3A A:HEC201 4.2 22.2 1.0 C2C A:HEC201 4.3 20.7 1.0 CG A:HIS18 4.3 32.0 1.0 C2B A:HEC201 4.3 20.3 1.0 C3B A:HEC201 4.3 19.8 1.0 C3C A:HEC201 4.3 20.8 1.0 C3D A:HEC201 4.4 20.3 1.0 C2D A:HEC201 4.4 21.0 1.0 OH A:TYR67 4.4 27.0 1.0 CE A:MET80 4.7 24.2 1.0 SD A:MET80 4.9 28.2 1.0

Iron binding site 2 out of 2 in the Cytochrome C Co-Crystallized with 10 Eq. Sulfonato-Calix[8]Arene and 25 Eq. Spermine (Dry-Coating Method) - Structure III


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 10 Eq. Sulfonato-Calix[8]Arene and 25 Eq. Spermine (Dry-Coating Method) - Structure III within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:22.4 occ:1.00 FE B:HEC201 0.0 22.4 1.0 NA B:HEC201 2.0 18.9 1.0 NC B:HEC201 2.0 23.1 1.0 NB B:HEC201 2.1 21.5 1.0 ND B:HEC201 2.1 21.4 1.0 NE2 B:HIS18 2.1 29.6 1.0 O B:HOH384 2.3 25.3 1.0 C1A B:HEC201 3.0 22.7 1.0 C4A B:HEC201 3.0 21.6 1.0 C1C B:HEC201 3.0 24.6 1.0 C4B B:HEC201 3.0 23.2 1.0 CE1 B:HIS18 3.1 28.1 1.0 C4C B:HEC201 3.1 23.1 1.0 C1B B:HEC201 3.1 20.8 1.0 C4D B:HEC201 3.1 23.1 1.0 C1D B:HEC201 3.1 22.9 1.0 CD2 B:HIS18 3.2 28.5 1.0 CHA B:HEC201 3.4 20.5 1.0 CHC B:HEC201 3.4 24.4 1.0 CHB B:HEC201 3.5 20.7 1.0 CHD B:HEC201 3.5 22.9 1.0 ND1 B:HIS18 4.2 27.5 1.0 C2A B:HEC201 4.2 20.0 1.0 C3A B:HEC201 4.2 21.1 1.0 C2C B:HEC201 4.3 20.8 1.0 CG B:HIS18 4.3 28.3 1.0 C3B B:HEC201 4.3 20.8 1.0 C2B B:HEC201 4.3 22.1 1.0 C3C B:HEC201 4.3 20.3 1.0 C3D B:HEC201 4.4 20.6 1.0 C2D B:HEC201 4.4 21.6 1.0 OH B:TYR67 4.4 23.2 1.0 CE B:MET80 4.7 27.4 1.0 SD B:MET80 4.9 28.6 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