Iron in PDB 4p4q: Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C

All present enzymatic activity of Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C:
1.11.1.5;

The structure of Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C, PDB code: 4p4q was solved by B.R.Crane, T.M.Payne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.797, 113.842, 88.239, 90.00, 105.31, 90.00
R / Rfree (%)	21.6 / 27.8

The binding sites of Iron atom in the Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C (pdb code 4p4q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C, PDB code: 4p4q:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:17.2 occ:1.00 FE A:HEM301 0.0 17.2 1.0 NC A:HEM301 2.0 12.0 1.0 NA A:HEM301 2.1 15.1 1.0 NB A:HEM301 2.1 20.6 1.0 ND A:HEM301 2.2 13.1 1.0 NE2 A:HIS175 2.3 25.8 1.0 C4C A:HEM301 3.0 19.7 1.0 C4A A:HEM301 3.0 17.6 1.0 C1C A:HEM301 3.0 20.2 1.0 C1B A:HEM301 3.0 19.4 1.0 C4B A:HEM301 3.1 21.7 1.0 C1D A:HEM301 3.1 16.2 1.0 C1A A:HEM301 3.1 22.6 1.0 C4D A:HEM301 3.2 18.1 1.0 CD2 A:HIS175 3.2 25.3 1.0 CE1 A:HIS175 3.3 26.1 1.0 CHB A:HEM301 3.4 20.3 1.0 CHD A:HEM301 3.4 15.3 1.0 CHC A:HEM301 3.4 21.0 1.0 CHA A:HEM301 3.5 19.4 1.0 C3C A:HEM301 4.2 17.7 1.0 C2C A:HEM301 4.2 17.0 1.0 NE1 A:TRP51 4.3 14.1 1.0 C3A A:HEM301 4.3 22.7 1.0 C2B A:HEM301 4.3 16.8 1.0 C3B A:HEM301 4.3 18.7 1.0 C2A A:HEM301 4.3 24.2 1.0 C2D A:HEM301 4.3 14.2 1.0 O A:HOH451 4.4 30.0 1.0 C3D A:HEM301 4.4 12.7 1.0 CG A:HIS175 4.4 25.4 1.0 ND1 A:HIS175 4.4 25.4 1.0 CD1 A:TRP51 4.6 14.1 1.0

Iron binding site 2 out of 4 in the Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:23.8 occ:1.00 FE B:HEM201 0.0 23.8 1.0 NB B:HEM201 2.0 23.3 1.0 NC B:HEM201 2.0 18.6 1.0 ND B:HEM201 2.0 31.3 1.0 NA B:HEM201 2.1 20.4 1.0 NE2 B:HIS18 2.3 33.2 1.0 SD B:MET80 2.5 22.2 1.0 C4B B:HEM201 3.0 26.4 1.0 C4C B:HEM201 3.0 17.9 1.0 C1D B:HEM201 3.0 29.3 1.0 C1C B:HEM201 3.0 22.4 1.0 C1B B:HEM201 3.0 24.5 1.0 C4D B:HEM201 3.1 31.5 1.0 C1A B:HEM201 3.1 20.3 1.0 C4A B:HEM201 3.1 22.0 1.0 CE1 B:HIS18 3.2 28.1 1.0 CD2 B:HIS18 3.3 37.0 1.0 CHD B:HEM201 3.3 21.3 1.0 CG B:MET80 3.3 19.9 1.0 CHC B:HEM201 3.4 24.3 1.0 CHB B:HEM201 3.4 22.1 1.0 CHA B:HEM201 3.5 23.5 1.0 CE B:MET80 3.6 19.0 1.0 CB B:MET80 4.1 20.3 1.0 C3B B:HEM201 4.2 24.9 1.0 C2B B:HEM201 4.2 26.8 1.0 C3C B:HEM201 4.2 12.4 1.0 C2C B:HEM201 4.2 18.2 1.0 C2D B:HEM201 4.3 32.0 1.0 C3D B:HEM201 4.3 31.9 1.0 ND1 B:HIS18 4.3 31.6 1.0 C2A B:HEM201 4.4 21.5 1.0 C3A B:HEM201 4.4 29.5 1.0 CG B:HIS18 4.4 33.0 1.0 OH B:TYR67 4.7 29.4 1.0

Iron binding site 3 out of 4 in the Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:17.6 occ:1.00 FE C:HEM301 0.0 17.6 1.0 NA C:HEM301 2.0 13.3 1.0 NC C:HEM301 2.0 11.2 1.0 NB C:HEM301 2.1 15.6 1.0 ND C:HEM301 2.1 10.1 1.0 NE2 C:HIS175 2.3 19.4 1.0 C4A C:HEM301 3.0 14.5 1.0 C4C C:HEM301 3.0 14.3 1.0 C1C C:HEM301 3.1 12.6 1.0 C1A C:HEM301 3.1 13.6 1.0 C1D C:HEM301 3.1 12.2 1.0 C1B C:HEM301 3.1 14.7 1.0 C4D C:HEM301 3.1 14.3 1.0 C4B C:HEM301 3.1 15.7 1.0 CD2 C:HIS175 3.2 17.5 1.0 CE1 C:HIS175 3.3 17.9 1.0 CHD C:HEM301 3.4 13.8 1.0 CHB C:HEM301 3.4 15.9 1.0 CHC C:HEM301 3.4 16.4 1.0 CHA C:HEM301 3.4 13.1 1.0 C3A C:HEM301 4.3 10.4 1.0 C2A C:HEM301 4.3 15.3 1.0 C3C C:HEM301 4.3 17.4 1.0 C2C C:HEM301 4.3 14.4 1.0 C2B C:HEM301 4.3 13.4 1.0 C2D C:HEM301 4.3 12.7 1.0 C3B C:HEM301 4.3 19.5 1.0 C3D C:HEM301 4.3 13.0 1.0 NE1 C:TRP51 4.4 14.3 1.0 ND1 C:HIS175 4.4 17.7 1.0 CG C:HIS175 4.4 21.5 1.0 CD1 C:TRP51 4.6 14.1 1.0

Iron binding site 4 out of 4 in the Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Complex of Yeast Cytochrome C Peroxidase (W191F) with Iso-1 Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:30.0 occ:1.00 FE D:HEM201 0.0 30.0 1.0 NB D:HEM201 1.9 19.5 1.0 ND D:HEM201 2.0 28.6 1.0 NA D:HEM201 2.1 33.3 1.0 NC D:HEM201 2.1 19.8 1.0 NE2 D:HIS18 2.4 38.9 1.0 SD D:MET80 2.6 33.8 1.0 C1B D:HEM201 2.9 24.5 1.0 C4B D:HEM201 2.9 25.8 1.0 C1D D:HEM201 3.0 32.4 1.0 CD2 D:HIS18 3.0 43.6 1.0 C4D D:HEM201 3.0 32.0 1.0 C4A D:HEM201 3.1 28.2 1.0 C1C D:HEM201 3.1 21.7 1.0 C4C D:HEM201 3.1 23.3 1.0 C1A D:HEM201 3.1 32.3 1.0 CE D:MET80 3.3 32.2 1.0 CHB D:HEM201 3.4 24.1 1.0 CHC D:HEM201 3.4 21.4 1.0 CHD D:HEM201 3.4 30.4 1.0 CHA D:HEM201 3.4 28.9 1.0 CE1 D:HIS18 3.6 40.4 1.0 CG D:MET80 3.7 34.1 1.0 C2B D:HEM201 4.1 27.7 1.0 C3B D:HEM201 4.1 23.4 1.0 C2D D:HEM201 4.2 34.2 1.0 C3D D:HEM201 4.2 33.0 1.0 C2C D:HEM201 4.3 31.1 1.0 C3A D:HEM201 4.3 29.6 1.0 CG D:HIS18 4.3 43.4 1.0 C3C D:HEM201 4.3 32.7 1.0 C2A D:HEM201 4.3 33.1 1.0 CB D:MET80 4.5 33.0 1.0 ND1 D:HIS18 4.5 47.0 1.0

B.R.Crane, E.Yee. Chemical Constraints on the Radical Cation Center of Cytochrome C Peroxidase For Long-Range Electron Transfer To Be Published.