Iron in PDB 4n0k: Atomic Resolution Crystal Structure of A Cytochrome C-Calixarene Complex

The structure of Atomic Resolution Crystal Structure of A Cytochrome C-Calixarene Complex, PDB code: 4n0k was solved by R.E.Mcgovern, V.E.Pye, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.39 / 1.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.110, 55.780, 119.080, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 18

The binding sites of Iron atom in the Atomic Resolution Crystal Structure of A Cytochrome C-Calixarene Complex (pdb code 4n0k). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Atomic Resolution Crystal Structure of A Cytochrome C-Calixarene Complex, PDB code: 4n0k:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Atomic Resolution Crystal Structure of A Cytochrome C-Calixarene Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Atomic Resolution Crystal Structure of A Cytochrome C-Calixarene Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:4.5 occ:1.00 FE A:HEM201 0.0 4.5 1.0 ND A:HEM201 2.0 4.5 1.0 NA A:HEM201 2.0 4.4 1.0 NE2 A:HIS18 2.0 4.7 1.0 NB A:HEM201 2.1 4.2 1.0 NC A:HEM201 2.1 4.6 1.0 SD A:MET80 2.3 5.0 1.0 CE1 A:HIS18 2.9 5.0 1.0 C1D A:HEM201 3.0 4.8 1.0 C4D A:HEM201 3.0 4.7 1.0 C1B A:HEM201 3.0 4.5 1.0 C1A A:HEM201 3.0 4.5 1.0 C4A A:HEM201 3.0 4.6 1.0 C4C A:HEM201 3.0 5.0 1.0 C4B A:HEM201 3.0 4.6 1.0 CD2 A:HIS18 3.1 4.9 1.0 C1C A:HEM201 3.1 4.9 1.0 CE A:MET80 3.4 5.6 1.0 CHB A:HEM201 3.4 5.0 1.0 CHD A:HEM201 3.4 5.0 1.0 CG A:MET80 3.4 5.3 1.0 CHA A:HEM201 3.4 4.5 1.0 CHC A:HEM201 3.4 5.2 1.0 ND1 A:HIS18 4.1 5.0 1.0 CG A:HIS18 4.2 5.1 1.0 C2A A:HEM201 4.2 4.7 1.0 C3A A:HEM201 4.2 4.8 1.0 CB A:MET80 4.2 5.3 1.0 C2D A:HEM201 4.3 4.9 1.0 C3C A:HEM201 4.3 5.4 1.0 C2B A:HEM201 4.3 4.9 1.0 C3D A:HEM201 4.3 5.0 1.0 C2C A:HEM201 4.3 5.5 1.0 C3B A:HEM201 4.3 4.8 1.0 OH A:TYR67 4.9 8.1 1.0

Iron binding site 2 out of 2 in the Atomic Resolution Crystal Structure of A Cytochrome C-Calixarene Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Atomic Resolution Crystal Structure of A Cytochrome C-Calixarene Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:5.7 occ:1.00 FE B:HEM201 0.0 5.7 1.0 ND B:HEM201 1.9 5.9 1.0 NA B:HEM201 2.0 6.0 1.0 NE2 B:HIS18 2.0 5.8 1.0 NC B:HEM201 2.1 6.2 1.0 NB B:HEM201 2.1 5.8 1.0 SD B:MET80 2.3 6.9 1.0 CE1 B:HIS18 2.9 6.3 1.0 C1D B:HEM201 3.0 5.9 1.0 C4D B:HEM201 3.0 6.2 1.0 C1A B:HEM201 3.0 5.8 1.0 C1B B:HEM201 3.0 5.9 1.0 C4A B:HEM201 3.0 6.1 1.0 C4C B:HEM201 3.0 6.3 1.0 C4B B:HEM201 3.0 6.0 1.0 CD2 B:HIS18 3.0 6.2 1.0 C1C B:HEM201 3.1 6.3 1.0 CE B:MET80 3.4 8.3 1.0 CHD B:HEM201 3.4 5.8 1.0 CG B:MET80 3.4 7.5 1.0 CHB B:HEM201 3.4 6.3 1.0 CHA B:HEM201 3.4 6.0 1.0 CHC B:HEM201 3.4 6.5 1.0 ND1 B:HIS18 4.1 6.2 1.0 CG B:HIS18 4.2 5.9 1.0 CB B:MET80 4.2 7.7 1.0 C2A B:HEM201 4.2 6.1 1.0 C3A B:HEM201 4.2 6.2 1.0 C2D B:HEM201 4.3 6.2 1.0 C3C B:HEM201 4.3 6.9 1.0 C3D B:HEM201 4.3 6.1 1.0 C2B B:HEM201 4.3 6.1 1.0 C2C B:HEM201 4.3 7.0 1.0 C3B B:HEM201 4.3 6.3 1.0 OH B:TYR67 4.7 10.8 1.0

R.E.Mcgovern, A.A.Mccarthy, P.B.Crowley. A Cytochrome C-Calixarene Structure at Atomic Resolution To Be Published.