Iron in PDB 5lft: Crystal Structure of Cytochrome C - Bromo-Trisulfonatocalix[4]Arene Complexes

The structure of Crystal Structure of Cytochrome C - Bromo-Trisulfonatocalix[4]Arene Complexes, PDB code: 5lft was solved by A.M.Doolan, 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)	35.02 / 1.25
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.746, 38.045, 89.650, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 23.9

The structure of Crystal Structure of Cytochrome C - Bromo-Trisulfonatocalix[4]Arene Complexes also contains other interesting chemical elements:

Bromine

(Br)

5 atoms

The binding sites of Iron atom in the Crystal Structure of Cytochrome C - Bromo-Trisulfonatocalix[4]Arene Complexes (pdb code 5lft). 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 Crystal Structure of Cytochrome C - Bromo-Trisulfonatocalix[4]Arene Complexes, PDB code: 5lft:

Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome C - Bromo-Trisulfonatocalix[4]Arene Complexes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Cytochrome C - Bromo-Trisulfonatocalix[4]Arene Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:13.4 occ:1.00 FE A:HEC201 0.0 13.4 1.0 NA A:HEC201 2.0 14.2 1.0 NB A:HEC201 2.0 11.5 1.0 NE2 A:HIS18 2.0 12.7 1.0 ND A:HEC201 2.0 14.1 1.0 NC A:HEC201 2.0 14.9 1.0 SD A:MET80 2.3 15.2 1.0 CE1 A:HIS18 3.0 13.6 1.0 C1A A:HEC201 3.0 15.2 1.0 C4A A:HEC201 3.0 11.7 1.0 CD2 A:HIS18 3.0 12.3 1.0 C1B A:HEC201 3.0 11.7 1.0 C4B A:HEC201 3.0 12.9 1.0 C4D A:HEC201 3.0 15.3 1.0 C1D A:HEC201 3.0 14.9 1.0 C4C A:HEC201 3.1 15.8 1.0 C1C A:HEC201 3.1 15.9 1.0 CHA A:HEC201 3.4 14.5 1.0 CE A:MET80 3.4 16.5 1.0 CHD A:HEC201 3.4 14.4 1.0 CHB A:HEC201 3.4 11.3 1.0 CHC A:HEC201 3.4 14.6 1.0 CG A:MET80 3.5 17.2 1.0 ND1 A:HIS18 4.1 12.6 1.0 CG A:HIS18 4.1 13.4 1.0 C2A A:HEC201 4.2 12.8 1.0 C3A A:HEC201 4.2 13.6 1.0 C3B A:HEC201 4.2 12.9 1.0 C2B A:HEC201 4.2 10.8 1.0 C3D A:HEC201 4.3 16.2 1.0 C2C A:HEC201 4.3 17.4 1.0 C3C A:HEC201 4.3 17.7 1.0 C2D A:HEC201 4.3 17.6 1.0 CB A:MET80 4.3 18.8 1.0 OH A:TYR67 4.8 17.5 1.0

A.M.Doolan, M.L.Rennie, P.B.Crowley. Protein Recognition By Functionalized Sulfonatocalix[4]Arenes. Chemistry V. 24 984 2018.
ISSN: ISSN 1521-3765
PubMed: 29125201
DOI: 10.1002/CHEM.201704931