Iron in PDB 3tyi: Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes

The structure of Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes, PDB code: 3tyi was solved by R.E.Mc Govern, H.Fernandes, A.R.Khan, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.19 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.044, 55.317, 117.419, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 19.8

The binding sites of Iron atom in the Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes (pdb code 3tyi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes, PDB code: 3tyi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cytochrome C - P-Sulfonatocalix[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 - P-Sulfonatocalix[4]Arene Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe104 b:8.4 occ:1.00 FE A:HEM104 0.0 8.4 1.0 NA A:HEM104 2.0 8.0 1.0 NE2 A:HIS18 2.0 7.7 1.0 NC A:HEM104 2.0 8.4 1.0 NB A:HEM104 2.0 7.7 1.0 ND A:HEM104 2.0 8.1 1.0 SD A:MET80 2.3 8.4 1.0 CE1 A:HIS18 3.0 8.5 1.0 CD2 A:HIS18 3.0 8.8 1.0 C1B A:HEM104 3.0 8.2 1.0 C4A A:HEM104 3.0 8.4 1.0 C1C A:HEM104 3.0 8.6 1.0 C1D A:HEM104 3.0 7.5 1.0 C4D A:HEM104 3.0 7.6 1.0 C4C A:HEM104 3.0 9.9 1.0 C4B A:HEM104 3.0 7.8 1.0 C1A A:HEM104 3.1 8.0 1.0 CE A:MET80 3.4 9.6 1.0 CHB A:HEM104 3.4 8.9 1.0 CHD A:HEM104 3.4 9.7 1.0 CG A:MET80 3.4 9.0 1.0 CHC A:HEM104 3.4 9.3 1.0 CHA A:HEM104 3.4 8.0 1.0 ND1 A:HIS18 4.1 8.6 1.0 CG A:HIS18 4.1 9.1 1.0 C2B A:HEM104 4.2 7.6 1.0 C3C A:HEM104 4.2 10.1 1.0 CB A:MET80 4.2 9.6 1.0 C3A A:HEM104 4.2 8.6 1.0 C2D A:HEM104 4.2 9.3 1.0 C2C A:HEM104 4.3 10.1 1.0 C3B A:HEM104 4.3 8.4 1.0 C3D A:HEM104 4.3 8.7 1.0 C2A A:HEM104 4.3 8.4 1.0 OH A:TYR67 4.8 11.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe104 b:11.0 occ:1.00 FE B:HEM104 0.0 11.0 1.0 NB B:HEM104 2.0 12.5 1.0 NA B:HEM104 2.0 10.2 1.0 NE2 B:HIS18 2.0 10.6 1.0 NC B:HEM104 2.0 11.5 1.0 ND B:HEM104 2.1 11.5 1.0 SD B:MET80 2.3 10.9 1.0 CE1 B:HIS18 3.0 11.8 1.0 C1B B:HEM104 3.0 11.0 1.0 C4B B:HEM104 3.0 11.9 1.0 CD2 B:HIS18 3.0 10.2 1.0 C1C B:HEM104 3.0 11.5 1.0 C4C B:HEM104 3.0 12.3 1.0 C1A B:HEM104 3.0 9.8 1.0 C4A B:HEM104 3.0 10.2 1.0 C1D B:HEM104 3.1 12.4 1.0 C4D B:HEM104 3.1 11.0 1.0 CE B:MET80 3.4 12.6 1.0 CHC B:HEM104 3.4 12.1 1.0 CHD B:HEM104 3.4 13.3 1.0 CHB B:HEM104 3.4 11.1 1.0 CHA B:HEM104 3.4 11.7 1.0 CG B:MET80 3.4 12.8 1.0 ND1 B:HIS18 4.1 10.6 1.0 CG B:HIS18 4.1 12.0 1.0 C3B B:HEM104 4.2 11.5 1.0 C2B B:HEM104 4.2 10.1 1.0 C2C B:HEM104 4.2 10.9 1.0 C3C B:HEM104 4.2 13.0 1.0 CB B:MET80 4.2 13.9 1.0 C3A B:HEM104 4.2 8.9 1.0 C2A B:HEM104 4.2 10.9 1.0 C2D B:HEM104 4.3 13.0 1.0 C3D B:HEM104 4.3 12.8 1.0 OH B:TYR67 4.7 13.5 1.0

R.E.Mcgovern, H.Fernandes, A.R.Khan, N.P.Power, P.B.Crowley. Protein Camouflage in Cytochrome C-Calixarene Complexes. Nat Chem V. 4 527 2012.
ISSN: ESSN 1755-4349
PubMed: 22717436
DOI: 10.1038/NCHEM.1342