Iron in PDB 4ye1: A Cytochrome C Plus Calixarene Structure - Alternative Ligand Binding Mode

The structure of A Cytochrome C Plus Calixarene Structure - Alternative Ligand Binding Mode, PDB code: 4ye1 was solved by M.M.Mallon, R.E.Mcgovern, A.A.Mccarty, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.38 / 1.39
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.850, 56.070, 108.040, 90.00, 90.00, 90.00
R / Rfree (%)	13 / 16

The binding sites of Iron atom in the A Cytochrome C Plus Calixarene Structure - Alternative Ligand Binding Mode (pdb code 4ye1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the A Cytochrome C Plus Calixarene Structure - Alternative Ligand Binding Mode, PDB code: 4ye1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the A Cytochrome C Plus Calixarene Structure - Alternative Ligand Binding Mode


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Cytochrome C Plus Calixarene Structure - Alternative Ligand Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:3.5 occ:1.00 FE A:HEM201 0.0 3.5 1.0 ND A:HEM201 1.9 3.6 1.0 NA A:HEM201 2.0 3.4 1.0 NC A:HEM201 2.1 3.5 1.0 NE2 A:HIS18 2.1 3.5 1.0 NB A:HEM201 2.1 3.5 1.0 SD A:MET80 2.3 4.0 1.0 C1D A:HEM201 2.9 3.6 1.0 C4D A:HEM201 3.0 3.5 1.0 CE1 A:HIS18 3.0 3.5 1.0 C1A A:HEM201 3.0 3.4 1.0 C4C A:HEM201 3.0 3.8 1.0 C4A A:HEM201 3.0 3.3 1.0 C1B A:HEM201 3.0 3.5 1.0 C4B A:HEM201 3.0 3.8 1.0 CD2 A:HIS18 3.1 3.5 1.0 C1C A:HEM201 3.1 3.8 1.0 CE A:MET80 3.3 4.4 1.0 CHD A:HEM201 3.4 3.5 1.0 CG A:MET80 3.4 4.4 1.0 CHA A:HEM201 3.4 3.3 1.0 CHB A:HEM201 3.4 3.6 1.0 CHC A:HEM201 3.5 3.9 1.0 ND1 A:HIS18 4.1 3.6 1.0 CG A:HIS18 4.2 3.4 1.0 C2D A:HEM201 4.2 3.5 1.0 C2A A:HEM201 4.2 3.5 1.0 C3A A:HEM201 4.2 3.5 1.0 C3D A:HEM201 4.2 3.5 1.0 C3C A:HEM201 4.2 4.1 1.0 C2C A:HEM201 4.3 4.1 1.0 C2B A:HEM201 4.3 4.0 1.0 CB A:MET80 4.3 4.4 1.0 C3B A:HEM201 4.3 3.8 1.0 OH A:TYR67 4.8 6.9 1.0

Iron binding site 2 out of 2 in the A Cytochrome C Plus Calixarene Structure - Alternative Ligand Binding Mode


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of A Cytochrome C Plus Calixarene Structure - Alternative Ligand Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:6.0 occ:1.00 FE B:HEM201 0.0 6.0 1.0 ND B:HEM201 1.9 6.0 1.0 NA B:HEM201 2.0 5.4 1.0 NE2 B:HIS18 2.1 6.1 1.0 NC B:HEM201 2.1 6.3 1.0 NB B:HEM201 2.1 5.8 1.0 SD B:MET80 2.3 6.1 1.0 C1D B:HEM201 3.0 6.0 1.0 C4D B:HEM201 3.0 5.5 1.0 CE1 B:HIS18 3.0 6.8 1.0 C4A B:HEM201 3.0 5.4 1.0 C1A B:HEM201 3.0 5.4 1.0 C1B B:HEM201 3.0 5.9 1.0 C4B B:HEM201 3.0 6.1 1.0 C4C B:HEM201 3.0 6.4 1.0 CD2 B:HIS18 3.1 6.8 1.0 C1C B:HEM201 3.1 6.3 1.0 CE B:MET80 3.4 5.6 1.0 CHD B:HEM201 3.4 6.3 1.0 CHB B:HEM201 3.4 5.7 1.0 CHA B:HEM201 3.4 4.8 1.0 CG B:MET80 3.4 7.0 1.0 CHC B:HEM201 3.5 5.8 1.0 ND1 B:HIS18 4.1 6.9 1.0 CG B:HIS18 4.2 7.0 1.0 C2D B:HEM201 4.2 5.9 1.0 C2A B:HEM201 4.2 5.8 1.0 C3A B:HEM201 4.2 5.8 1.0 C3D B:HEM201 4.2 5.5 1.0 CB B:MET80 4.3 6.8 1.0 C2B B:HEM201 4.3 6.1 1.0 C2C B:HEM201 4.3 7.3 1.0 C3C B:HEM201 4.3 7.4 1.0 C3B B:HEM201 4.3 6.3 1.0 OH B:TYR67 4.9 7.6 1.0

M.M.Mallon, R.E.Mcgovern, A.A.Mccarty, P.B.Crowley. A Cytochrome C-Calixarene Structure To Be Published.