Iron in PDB 4qao: Lysine-Ligated Cytochrome C with F82H

The structure of Lysine-Ligated Cytochrome C with F82H, PDB code: 4qao was solved by J.F.Amacher, M.Q.Zhu, F.Zhong, E.K.Pletneva, D.R.Madden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.52 / 2.10
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	105.960, 105.960, 149.950, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.3

The binding sites of Iron atom in the Lysine-Ligated Cytochrome C with F82H (pdb code 4qao). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Lysine-Ligated Cytochrome C with F82H, PDB code: 4qao:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Lysine-Ligated Cytochrome C with F82H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Lysine-Ligated Cytochrome C with F82H within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:21.3 occ:1.00 FE A:HEM201 0.0 21.3 1.0 ND A:HEM201 1.9 17.9 1.0 NE2 A:HIS18 1.9 13.8 1.0 NA A:HEM201 2.0 21.4 1.0 NB A:HEM201 2.0 21.6 1.0 NC A:HEM201 2.1 19.0 1.0 NZ A:LYS73 2.3 16.4 1.0 CD2 A:HIS18 2.8 14.2 1.0 C1D A:HEM201 2.9 20.0 1.0 C4D A:HEM201 2.9 19.1 1.0 C1B A:HEM201 3.0 19.7 1.0 C4A A:HEM201 3.0 20.9 1.0 C1A A:HEM201 3.0 18.6 1.0 CE1 A:HIS18 3.0 16.2 1.0 C4B A:HEM201 3.0 21.1 1.0 C4C A:HEM201 3.1 20.9 1.0 C1C A:HEM201 3.1 18.0 1.0 CHB A:HEM201 3.4 22.2 1.0 CHD A:HEM201 3.4 21.4 1.0 CHA A:HEM201 3.4 17.8 1.0 CHC A:HEM201 3.5 21.5 1.0 CE A:LYS73 3.6 21.3 1.0 CG A:HIS18 4.0 12.6 1.0 ND1 A:HIS18 4.1 13.5 1.0 C2B A:HEM201 4.2 19.6 1.0 C2A A:HEM201 4.2 18.1 1.0 C3D A:HEM201 4.2 18.7 1.0 C2D A:HEM201 4.2 19.4 1.0 C3A A:HEM201 4.2 20.6 1.0 C3B A:HEM201 4.3 20.7 1.0 C2C A:HEM201 4.3 20.6 1.0 C3C A:HEM201 4.3 21.6 1.0 CD A:LYS73 4.7 25.5 1.0 OH A:TYR67 4.8 33.8 1.0

Iron binding site 2 out of 3 in the Lysine-Ligated Cytochrome C with F82H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Lysine-Ligated Cytochrome C with F82H within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:22.0 occ:1.00 FE B:HEM201 0.0 22.0 1.0 ND B:HEM201 1.9 16.2 1.0 NA B:HEM201 2.0 19.6 1.0 NC B:HEM201 2.0 17.8 1.0 NE2 B:HIS18 2.1 17.0 1.0 NB B:HEM201 2.1 26.0 1.0 NZ B:LYS73 2.4 28.8 1.0 C1D B:HEM201 2.9 18.1 1.0 C4D B:HEM201 2.9 16.9 1.0 C1A B:HEM201 2.9 20.9 1.0 C4C B:HEM201 3.0 17.9 1.0 C4A B:HEM201 3.0 21.9 1.0 CD2 B:HIS18 3.0 20.9 1.0 C1C B:HEM201 3.0 20.3 1.0 CE1 B:HIS18 3.0 21.5 1.0 C4B B:HEM201 3.0 26.9 1.0 C1B B:HEM201 3.1 21.9 1.0 CHD B:HEM201 3.3 18.5 1.0 CHA B:HEM201 3.4 20.6 1.0 CHC B:HEM201 3.4 22.0 1.0 CHB B:HEM201 3.4 23.9 1.0 CE B:LYS73 3.8 32.6 1.0 C2A B:HEM201 4.1 22.8 1.0 CD B:LYS73 4.1 35.5 1.0 ND1 B:HIS18 4.1 21.7 1.0 C3A B:HEM201 4.1 24.6 1.0 C2D B:HEM201 4.1 17.5 1.0 CG B:HIS18 4.2 21.8 1.0 C3D B:HEM201 4.2 17.5 1.0 C2C B:HEM201 4.2 18.9 1.0 C3C B:HEM201 4.2 19.7 1.0 C2B B:HEM201 4.3 26.8 1.0 C3B B:HEM201 4.3 25.0 1.0 OH B:TYR67 4.9 31.7 1.0

Iron binding site 3 out of 3 in the Lysine-Ligated Cytochrome C with F82H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Lysine-Ligated Cytochrome C with F82H within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:15.6 occ:1.00 FE C:HEM201 0.0 15.6 1.0 ND C:HEM201 1.9 11.0 1.0 NB C:HEM201 2.0 16.6 1.0 NA C:HEM201 2.0 14.5 1.0 NC C:HEM201 2.1 14.7 1.0 NZ C:LYS73 2.1 23.3 1.0 NE2 C:HIS18 2.1 17.7 1.0 C1D C:HEM201 2.9 14.7 1.0 C4D C:HEM201 2.9 12.0 1.0 C4B C:HEM201 3.0 17.4 1.0 C1B C:HEM201 3.0 18.5 1.0 C1A C:HEM201 3.0 11.7 1.0 C4C C:HEM201 3.0 14.3 1.0 C1C C:HEM201 3.0 14.4 1.0 C4A C:HEM201 3.0 14.9 1.0 CD2 C:HIS18 3.1 16.0 1.0 CE1 C:HIS18 3.2 16.3 1.0 CE C:LYS73 3.3 28.5 1.0 CHA C:HEM201 3.4 12.2 1.0 CHC C:HEM201 3.4 15.1 1.0 CHD C:HEM201 3.4 15.0 1.0 CHB C:HEM201 3.4 16.3 1.0 CD C:LYS73 3.9 28.3 1.0 C2B C:HEM201 4.1 18.2 1.0 C3D C:HEM201 4.1 10.2 1.0 C2D C:HEM201 4.1 11.1 1.0 C3B C:HEM201 4.2 17.1 1.0 C2C C:HEM201 4.2 15.4 1.0 C3C C:HEM201 4.2 16.4 1.0 CG C:HIS18 4.2 16.1 1.0 ND1 C:HIS18 4.2 15.5 1.0 C2A C:HEM201 4.2 14.4 1.0 C3A C:HEM201 4.3 14.0 1.0 OH C:TYR67 4.8 20.9 1.0

J.F.Amacher, J.F.Amacher, M.Q.Zhu, F.Zhong, E.K.Pletneva, D.R.Madden. N/A N/A.