Iron in PDB 6p43: Yeast Cytochrome C Peroxidase in Complex with Iso-1 Cytochrome C (Y48K)

All present enzymatic activity of Yeast Cytochrome C Peroxidase in Complex with Iso-1 Cytochrome C (Y48K):
1.11.1.5;

The structure of Yeast Cytochrome C Peroxidase in Complex with Iso-1 Cytochrome C (Y48K), PDB code: 6p43 was solved by E.F.Yee, B.R.Crane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.26 / 1.91
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	45.208, 50.890, 86.429, 105.64, 95.02, 107.31
R / Rfree (%)	19.1 / 22.8

The binding sites of Iron atom in the Yeast Cytochrome C Peroxidase in Complex with Iso-1 Cytochrome C (Y48K) (pdb code 6p43). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Yeast Cytochrome C Peroxidase in Complex with Iso-1 Cytochrome C (Y48K), PDB code: 6p43:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Yeast Cytochrome C Peroxidase in Complex with Iso-1 Cytochrome C (Y48K)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Yeast Cytochrome C Peroxidase in Complex with Iso-1 Cytochrome C (Y48K) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:6.0 occ:1.00 FE A:HEM301 0.0 6.0 1.0 NE2 A:HIS175 2.0 6.3 1.0 NB A:HEM301 2.1 7.7 1.0 NC A:HEM301 2.1 7.4 1.0 NA A:HEM301 2.1 10.6 1.0 ND A:HEM301 2.1 5.2 1.0 O A:HOH534 2.6 27.7 1.0 CD2 A:HIS175 3.0 11.0 1.0 C1B A:HEM301 3.0 8.7 1.0 C4A A:HEM301 3.1 9.3 1.0 C1D A:HEM301 3.1 6.3 1.0 C4B A:HEM301 3.1 8.1 1.0 CE1 A:HIS175 3.1 7.8 1.0 C4C A:HEM301 3.1 5.7 1.0 C1C A:HEM301 3.1 6.8 1.0 C4D A:HEM301 3.1 4.8 1.0 C1A A:HEM301 3.1 8.5 1.0 CHB A:HEM301 3.4 6.4 1.0 CHD A:HEM301 3.4 6.0 1.0 CHC A:HEM301 3.4 9.4 1.0 CHA A:HEM301 3.5 6.4 1.0 CG A:HIS175 4.1 6.9 1.0 ND1 A:HIS175 4.2 7.2 1.0 NE1 A:TRP51 4.2 9.6 1.0 C2B A:HEM301 4.3 5.7 1.0 C2D A:HEM301 4.3 4.3 1.0 C3B A:HEM301 4.3 11.7 1.0 C3D A:HEM301 4.3 6.7 1.0 C3A A:HEM301 4.3 12.4 1.0 C2C A:HEM301 4.3 8.9 1.0 C3C A:HEM301 4.3 7.8 1.0 C2A A:HEM301 4.3 10.9 1.0 O A:HOH476 4.3 19.7 1.0 CD1 A:TRP51 4.6 9.0 1.0 O A:HOH509 4.9 13.9 1.0 CH2 A:TRP191 5.0 12.5 1.0

Iron binding site 2 out of 3 in the Yeast Cytochrome C Peroxidase in Complex with Iso-1 Cytochrome C (Y48K)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Yeast Cytochrome C Peroxidase in Complex with Iso-1 Cytochrome C (Y48K) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:15.7 occ:1.00 FE B:HEM201 0.0 15.7 1.0 ND B:HEM201 2.0 23.2 1.0 NE2 B:HIS18 2.0 17.7 1.0 NA B:HEM201 2.0 25.8 1.0 NC B:HEM201 2.1 16.4 1.0 NB B:HEM201 2.1 20.8 1.0 SD B:MET80 2.3 21.1 1.0 CD2 B:HIS18 2.9 17.3 1.0 C4D B:HEM201 3.0 24.0 1.0 C1D B:HEM201 3.0 26.3 1.0 C1A B:HEM201 3.0 29.1 1.0 CE1 B:HIS18 3.0 22.4 1.0 C4A B:HEM201 3.0 23.0 1.0 C4C B:HEM201 3.1 20.5 1.0 C1B B:HEM201 3.1 22.6 1.0 C1C B:HEM201 3.1 21.9 1.0 C4B B:HEM201 3.1 22.3 1.0 CE B:MET80 3.3 20.7 1.0 CHA B:HEM201 3.4 33.0 1.0 CG B:MET80 3.4 24.7 1.0 CHD B:HEM201 3.4 21.1 1.0 CHB B:HEM201 3.4 24.8 1.0 CHC B:HEM201 3.5 20.1 1.0 CG B:HIS18 4.1 17.2 1.0 ND1 B:HIS18 4.1 21.8 1.0 CB B:MET80 4.2 22.6 1.0 C3D B:HEM201 4.2 27.7 1.0 C2D B:HEM201 4.2 28.5 1.0 C3A B:HEM201 4.2 34.2 1.0 C2A B:HEM201 4.2 34.6 1.0 C3C B:HEM201 4.3 15.9 1.0 C2B B:HEM201 4.3 23.9 1.0 C2C B:HEM201 4.3 16.6 1.0 C3B B:HEM201 4.3 27.0 1.0

Iron binding site 3 out of 3 in the Yeast Cytochrome C Peroxidase in Complex with Iso-1 Cytochrome C (Y48K)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Yeast Cytochrome C Peroxidase in Complex with Iso-1 Cytochrome C (Y48K) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:4.5 occ:1.00 FE C:HEM301 0.0 4.5 1.0 NC C:HEM301 2.0 2.2 1.0 NE2 C:HIS175 2.0 5.8 1.0 NB C:HEM301 2.1 3.7 1.0 NA C:HEM301 2.1 6.0 1.0 ND C:HEM301 2.1 3.9 1.0 CE1 C:HIS175 3.0 9.3 1.0 CD2 C:HIS175 3.0 6.2 1.0 C4C C:HEM301 3.0 3.8 1.0 C1C C:HEM301 3.1 5.2 1.0 C1D C:HEM301 3.1 6.0 1.0 C1B C:HEM301 3.1 8.1 1.0 C4B C:HEM301 3.1 5.2 1.0 C4A C:HEM301 3.1 7.6 1.0 C4D C:HEM301 3.1 4.7 1.0 C1A C:HEM301 3.1 6.5 1.0 CHD C:HEM301 3.4 6.3 1.0 CHC C:HEM301 3.4 6.2 1.0 CHB C:HEM301 3.4 6.5 1.0 CHA C:HEM301 3.5 6.2 1.0 ND1 C:HIS175 4.1 7.5 1.0 CG C:HIS175 4.2 6.2 1.0 O C:HOH560 4.2 12.0 1.0 C3C C:HEM301 4.3 4.8 1.0 C2D C:HEM301 4.3 4.6 1.0 NE1 C:TRP51 4.3 8.8 1.0 C2C C:HEM301 4.3 4.6 1.0 C2B C:HEM301 4.3 6.1 1.0 C3B C:HEM301 4.3 5.2 1.0 C3D C:HEM301 4.3 4.8 1.0 C3A C:HEM301 4.3 5.3 1.0 C2A C:HEM301 4.3 7.2 1.0 O C:HOH534 4.6 24.6 1.0 CD1 C:TRP51 4.7 8.0 1.0

E.F.Yee, B.Dzikovski, B.R.Crane. Tuning Radical Relay Residues By Proton Management Rescues Protein Electron Hopping. J.Am.Chem.Soc. V. 141 17571 2019.
ISSN: ESSN 1520-5126
PubMed: 31603693
DOI: 10.1021/JACS.9B05715