Iron in PDB 5lyc: Cytochrome C in Complex with Phosphonato-Calix[6]Arene

The structure of Cytochrome C in Complex with Phosphonato-Calix[6]Arene, PDB code: 5lyc was solved by 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)	52.78 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.570, 54.570, 208.010, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 19.9

The binding sites of Iron atom in the Cytochrome C in Complex with Phosphonato-Calix[6]Arene (pdb code 5lyc). 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 in Complex with Phosphonato-Calix[6]Arene, PDB code: 5lyc:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cytochrome C in Complex with Phosphonato-Calix[6]Arene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome C in Complex with Phosphonato-Calix[6]Arene within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:17.7 occ:1.00 FE A:HEC201 0.0 17.7 1.0 ND A:HEC201 1.9 17.5 1.0 NA A:HEC201 2.0 16.6 1.0 NE2 A:HIS18 2.0 16.9 1.0 NB A:HEC201 2.1 16.9 1.0 NC A:HEC201 2.1 17.6 1.0 SD A:MET80 2.3 20.2 1.0 CE1 A:HIS18 3.0 17.0 1.0 C1D A:HEC201 3.0 18.0 1.0 C4D A:HEC201 3.0 17.6 1.0 C1B A:HEC201 3.0 17.0 1.0 C4A A:HEC201 3.0 16.7 1.0 CD2 A:HIS18 3.0 16.5 1.0 C1A A:HEC201 3.0 16.9 1.0 C4B A:HEC201 3.0 17.0 1.0 C4C A:HEC201 3.0 18.3 1.0 C1C A:HEC201 3.1 17.9 1.0 CE A:MET80 3.3 20.1 1.0 CHB A:HEC201 3.4 16.5 1.0 CG A:MET80 3.4 21.2 1.0 CHA A:HEC201 3.4 17.4 1.0 CHD A:HEC201 3.4 18.4 1.0 CHC A:HEC201 3.4 17.4 1.0 ND1 A:HIS18 4.1 16.6 1.0 CG A:HIS18 4.2 16.2 1.0 CB A:MET80 4.2 23.0 1.0 C2D A:HEC201 4.2 19.1 1.0 C3A A:HEC201 4.2 16.6 1.0 C3D A:HEC201 4.3 18.7 1.0 C2A A:HEC201 4.3 16.7 1.0 C2B A:HEC201 4.3 16.7 1.0 C2C A:HEC201 4.3 18.3 1.0 C3C A:HEC201 4.3 18.6 1.0 C3B A:HEC201 4.3 16.7 1.0 OH A:TYR67 4.8 23.0 1.0

Iron binding site 2 out of 2 in the Cytochrome C in Complex with Phosphonato-Calix[6]Arene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome C in Complex with Phosphonato-Calix[6]Arene within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:17.2 occ:1.00 FE B:HEC201 0.0 17.2 1.0 ND B:HEC201 1.9 17.1 1.0 NE2 B:HIS18 2.0 16.4 1.0 NA B:HEC201 2.0 16.0 1.0 NC B:HEC201 2.0 17.0 1.0 NB B:HEC201 2.0 16.1 1.0 SD B:MET80 2.3 19.1 1.0 CE1 B:HIS18 2.9 16.0 1.0 C1D B:HEC201 3.0 17.8 1.0 C4D B:HEC201 3.0 17.4 1.0 CD2 B:HIS18 3.0 15.7 1.0 C1B B:HEC201 3.0 16.2 1.0 C4B B:HEC201 3.0 16.6 1.0 C1A B:HEC201 3.0 16.5 1.0 C4C B:HEC201 3.0 18.2 1.0 C4A B:HEC201 3.0 15.9 1.0 C1C B:HEC201 3.1 17.6 1.0 CE B:MET80 3.4 19.2 1.0 CG B:MET80 3.4 20.6 1.0 CHA B:HEC201 3.4 16.9 1.0 CHD B:HEC201 3.4 18.3 1.0 CHB B:HEC201 3.4 15.7 1.0 CHC B:HEC201 3.4 17.0 1.0 ND1 B:HIS18 4.0 15.4 1.0 CG B:HIS18 4.1 15.6 1.0 C2D B:HEC201 4.2 18.4 1.0 CB B:MET80 4.2 21.3 1.0 C2A B:HEC201 4.2 16.1 1.0 C2B B:HEC201 4.3 16.5 1.0 C3D B:HEC201 4.3 17.8 1.0 C3A B:HEC201 4.3 15.8 1.0 C2C B:HEC201 4.3 18.4 1.0 C3C B:HEC201 4.3 18.5 1.0 C3B B:HEC201 4.3 16.6 1.0 OH B:TYR67 4.8 21.2 1.0

M.L.Rennie, A.M.Doolan, C.L.Raston, P.B.Crowley. Protein Dimerization on A Phosphonated Calix[6]Arene Disc. Angew. Chem. Int. Ed. Engl. V. 56 5517 2017.
ISSN: ESSN 1521-3773
PubMed: 28407337
DOI: 10.1002/ANIE.201701500