Iron in PDB 5cie: Complex of Yeast Cytochrome C Peroxidase (W191G) Bound to Aniline with Iso-1 Cytochrome C

All present enzymatic activity of Complex of Yeast Cytochrome C Peroxidase (W191G) Bound to Aniline with Iso-1 Cytochrome C:
1.11.1.5;

The structure of Complex of Yeast Cytochrome C Peroxidase (W191G) Bound to Aniline with Iso-1 Cytochrome C, PDB code: 5cie 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)	39.53 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.379, 110.329, 87.879, 90.00, 105.51, 90.00
R / Rfree (%)	25 / 29.4

The binding sites of Iron atom in the Complex of Yeast Cytochrome C Peroxidase (W191G) Bound to Aniline with Iso-1 Cytochrome C (pdb code 5cie). 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 (W191G) Bound to Aniline with Iso-1 Cytochrome C, PDB code: 5cie:
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 (W191G) Bound to Aniline 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 (W191G) Bound to Aniline with Iso-1 Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:48.3 occ:1.00 FE A:HEM301 0.0 48.3 1.0 NE2 A:HIS175 2.1 31.4 1.0 NA A:HEM301 2.1 57.8 1.0 NC A:HEM301 2.1 59.3 1.0 ND A:HEM301 2.1 55.1 1.0 NB A:HEM301 2.1 59.0 1.0 CD2 A:HIS175 3.0 55.8 1.0 CE1 A:HIS175 3.0 48.8 1.0 C4B A:HEM301 3.1 53.5 1.0 C1B A:HEM301 3.1 56.3 1.0 C4A A:HEM301 3.1 48.3 1.0 C4D A:HEM301 3.1 48.3 1.0 C1A A:HEM301 3.1 52.1 1.0 C4C A:HEM301 3.1 48.3 1.0 C1C A:HEM301 3.1 67.6 1.0 C1D A:HEM301 3.1 55.3 1.0 CHA A:HEM301 3.4 48.3 1.0 CHC A:HEM301 3.4 48.3 1.0 CHB A:HEM301 3.4 54.6 1.0 CHD A:HEM301 3.4 48.3 1.0 ND1 A:HIS175 4.2 31.9 1.0 CG A:HIS175 4.2 53.9 1.0 C2B A:HEM301 4.2 51.6 1.0 NE1 A:TRP51 4.2 32.6 1.0 C3B A:HEM301 4.3 48.3 1.0 C3A A:HEM301 4.3 51.0 1.0 C2A A:HEM301 4.3 59.5 1.0 C3D A:HEM301 4.3 53.8 1.0 C2C A:HEM301 4.3 49.0 1.0 C3C A:HEM301 4.3 59.8 1.0 C2D A:HEM301 4.3 60.7 1.0 CD1 A:TRP51 4.5 50.8 1.0 N A:ANL302 4.5 48.3 1.0 CD A:ARG48 4.7 49.4 1.0

Iron binding site 2 out of 4 in the Complex of Yeast Cytochrome C Peroxidase (W191G) Bound to Aniline 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 (W191G) Bound to Aniline with Iso-1 Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:72.1 occ:1.00 FE B:HEM201 0.0 72.1 1.0 CE1 B:HIS18 1.9 59.9 1.0 NE2 B:HIS18 2.0 58.1 1.0 NC B:HEM201 2.1 71.5 1.0 NB B:HEM201 2.1 58.6 1.0 NA B:HEM201 2.1 60.7 1.0 ND B:HEM201 2.2 52.8 1.0 SD B:MET80 2.2 67.3 1.0 C1B B:HEM201 3.1 63.8 1.0 C4C B:HEM201 3.1 48.3 1.0 C4A B:HEM201 3.1 61.9 1.0 C4B B:HEM201 3.1 59.5 1.0 C1C B:HEM201 3.1 60.0 1.0 C1D B:HEM201 3.1 48.3 1.0 C1A B:HEM201 3.2 52.6 1.0 ND1 B:HIS18 3.2 67.0 1.0 C4D B:HEM201 3.2 62.0 1.0 CD2 B:HIS18 3.4 64.0 1.0 CHD B:HEM201 3.4 48.3 1.0 CHB B:HEM201 3.4 51.4 1.0 CHC B:HEM201 3.5 65.1 1.0 CE B:MET80 3.5 66.6 1.0 CHA B:HEM201 3.6 64.5 1.0 CG B:MET80 3.7 53.7 1.0 CG B:HIS18 3.9 67.9 1.0 C2B B:HEM201 4.3 66.7 1.0 C3B B:HEM201 4.3 61.9 1.0 C3C B:HEM201 4.3 48.3 1.0 C2C B:HEM201 4.3 48.3 1.0 C3A B:HEM201 4.3 67.7 1.0 C2A B:HEM201 4.4 58.2 1.0 C2D B:HEM201 4.4 55.8 1.0 CB B:MET80 4.4 55.6 1.0 C3D B:HEM201 4.4 67.0 1.0

Iron binding site 3 out of 4 in the Complex of Yeast Cytochrome C Peroxidase (W191G) Bound to Aniline 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 (W191G) Bound to Aniline with Iso-1 Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:48.3 occ:1.00 FE C:HEM301 0.0 48.3 1.0 NE2 C:HIS175 2.1 32.1 1.0 NC C:HEM301 2.1 48.9 1.0 NA C:HEM301 2.1 75.9 1.0 NB C:HEM301 2.1 52.7 1.0 ND C:HEM301 2.1 53.8 1.0 CE1 C:HIS175 3.0 40.3 1.0 CD2 C:HIS175 3.1 41.9 1.0 C1D C:HEM301 3.1 53.4 1.0 C4D C:HEM301 3.1 48.3 1.0 C1B C:HEM301 3.1 48.3 1.0 C4B C:HEM301 3.1 54.9 1.0 C4C C:HEM301 3.1 48.3 1.0 C4A C:HEM301 3.1 48.3 1.0 C1A C:HEM301 3.1 66.5 1.0 C1C C:HEM301 3.1 51.0 1.0 CHD C:HEM301 3.4 48.3 1.0 CHA C:HEM301 3.4 51.5 1.0 CHC C:HEM301 3.4 48.3 1.0 CHB C:HEM301 3.4 48.3 1.0 NE1 C:TRP51 4.0 44.9 1.0 N C:ANL302 4.0 53.8 1.0 ND1 C:HIS175 4.1 34.4 1.0 CG C:HIS175 4.2 43.9 1.0 C2D C:HEM301 4.2 58.2 1.0 C3D C:HEM301 4.2 58.7 1.0 C2B C:HEM301 4.3 57.0 1.0 C3B C:HEM301 4.3 61.5 1.0 C3A C:HEM301 4.3 48.3 1.0 C2A C:HEM301 4.3 59.1 1.0 C3C C:HEM301 4.3 62.3 1.0 C2C C:HEM301 4.3 48.3 1.0 CD1 C:TRP51 4.4 54.1 1.0 CG C:ARG48 4.6 32.7 1.0 CE2 C:TRP51 4.8 42.2 1.0

Iron binding site 4 out of 4 in the Complex of Yeast Cytochrome C Peroxidase (W191G) Bound to Aniline 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 (W191G) Bound to Aniline with Iso-1 Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:0.5 occ:1.00 FE D:HEM201 0.0 0.5 1.0 NE2 D:HIS18 2.0 93.9 1.0 NC D:HEM201 2.0 85.1 1.0 NA D:HEM201 2.1 76.8 1.0 NB D:HEM201 2.1 60.9 1.0 ND D:HEM201 2.1 52.5 1.0 SD D:MET80 2.2 0.4 1.0 CE1 D:HIS18 2.9 93.9 1.0 C4C D:HEM201 3.0 76.7 1.0 C1D D:HEM201 3.0 74.5 1.0 C1C D:HEM201 3.1 77.9 1.0 C4A D:HEM201 3.1 78.6 1.0 C1B D:HEM201 3.1 69.2 1.0 C1A D:HEM201 3.1 73.8 1.0 CD2 D:HIS18 3.1 94.6 1.0 C4D D:HEM201 3.1 58.4 1.0 C4B D:HEM201 3.1 56.8 1.0 CE D:MET80 3.2 0.3 1.0 CHD D:HEM201 3.3 63.7 1.0 CHB D:HEM201 3.4 72.2 1.0 CHC D:HEM201 3.4 68.8 1.0 CHA D:HEM201 3.5 66.7 1.0 CG D:MET80 3.8 0.2 1.0 ND1 D:HIS18 4.0 94.7 1.0 CG D:HIS18 4.2 95.6 1.0 C3C D:HEM201 4.2 81.2 1.0 C2C D:HEM201 4.2 84.8 1.0 C2D D:HEM201 4.3 78.6 1.0 C3A D:HEM201 4.3 78.5 1.0 C2B D:HEM201 4.3 61.0 1.0 C2A D:HEM201 4.3 78.8 1.0 C3D D:HEM201 4.3 76.0 1.0 C3B D:HEM201 4.3 70.4 1.0 CB D:MET80 4.7 0.6 1.0 OH D:TYR67 4.8 0.8 1.0

T.M.Payne, E.F.Yee, B.Dzikovski, B.R.Crane. Constraints on the Radical Cation Center of Cytochrome C Peroxidase For Electron Transfer From Cytochrome C. Biochemistry V. 55 4807 2016.
ISSN: ISSN 0006-2960
PubMed: 27499202
DOI: 10.1021/ACS.BIOCHEM.6B00262