Iron in PDB 7mri: Crystal Structure of N63T Yeast Iso-1-Cytochrome C

The structure of Crystal Structure of N63T Yeast Iso-1-Cytochrome C, PDB code: 7mri was solved by H.Lei, B.E.Bowler, G.E.Evenson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.93 / 2.46
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	59.25, 59.25, 92.3, 90, 90, 90
R / Rfree (%)	16.6 / 20.8

The binding sites of Iron atom in the Crystal Structure of N63T Yeast Iso-1-Cytochrome C (pdb code 7mri). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of N63T Yeast Iso-1-Cytochrome C, PDB code: 7mri:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of N63T Yeast 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 Crystal Structure of N63T Yeast Iso-1-Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:18.9 occ:1.00 FE A:HEC201 0.0 18.9 1.0 ND A:HEC201 1.9 17.4 1.0 NE2 A:HIS18 1.9 21.6 1.0 NA A:HEC201 2.0 18.0 1.0 NC A:HEC201 2.0 16.7 1.0 NB A:HEC201 2.1 19.6 1.0 SD A:MET80 2.4 21.6 1.0 CE1 A:HIS18 2.8 20.8 1.0 C4D A:HEC201 2.9 16.5 1.0 C1A A:HEC201 3.0 17.3 1.0 C1D A:HEC201 3.0 16.9 1.0 C4C A:HEC201 3.0 18.1 1.0 C4A A:HEC201 3.0 19.3 1.0 C4B A:HEC201 3.0 21.5 1.0 C1C A:HEC201 3.0 17.6 1.0 C1B A:HEC201 3.1 19.1 1.0 CD2 A:HIS18 3.1 22.1 1.0 CHA A:HEC201 3.4 16.6 1.0 CE A:MET80 3.4 19.2 1.0 CHD A:HEC201 3.4 17.0 1.0 CHC A:HEC201 3.4 20.3 1.0 CHB A:HEC201 3.5 17.6 1.0 CG A:MET80 3.5 20.3 1.0 ND1 A:HIS18 4.0 20.4 1.0 CG A:HIS18 4.1 22.4 1.0 C2A A:HEC201 4.2 18.0 1.0 C3A A:HEC201 4.2 18.8 1.0 C3D A:HEC201 4.2 16.6 1.0 C2D A:HEC201 4.2 15.9 1.0 C3C A:HEC201 4.2 18.3 1.0 C2C A:HEC201 4.2 17.9 1.0 C2B A:HEC201 4.3 19.3 1.0 CB A:MET80 4.3 22.2 1.0 C3B A:HEC201 4.3 19.7 1.0 OH A:TYR67 4.8 25.7 1.0

Iron binding site 2 out of 3 in the Crystal Structure of N63T Yeast 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 Crystal Structure of N63T Yeast Iso-1-Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:18.6 occ:1.00 FE C:HEC201 0.0 18.6 1.0 ND C:HEC201 1.9 16.7 1.0 NE2 C:HIS18 1.9 22.0 1.0 NA C:HEC201 2.0 17.2 1.0 NB C:HEC201 2.1 16.6 1.0 NC C:HEC201 2.1 18.0 1.0 SD C:MET80 2.3 20.7 1.0 CE1 C:HIS18 2.8 21.3 1.0 C1D C:HEC201 2.9 16.6 1.0 C4D C:HEC201 2.9 16.5 1.0 C1A C:HEC201 3.0 17.0 1.0 C1B C:HEC201 3.0 17.2 1.0 C4A C:HEC201 3.0 16.4 1.0 C4C C:HEC201 3.0 18.3 1.0 C4B C:HEC201 3.0 18.0 1.0 CD2 C:HIS18 3.0 21.3 1.0 C1C C:HEC201 3.2 17.8 1.0 CHD C:HEC201 3.3 17.6 1.0 CHA C:HEC201 3.4 16.2 1.0 CHB C:HEC201 3.4 16.4 1.0 CE C:MET80 3.4 19.9 1.0 CG C:MET80 3.4 18.8 1.0 CHC C:HEC201 3.5 18.4 1.0 ND1 C:HIS18 3.9 19.7 1.0 CG C:HIS18 4.1 20.7 1.0 C2A C:HEC201 4.2 15.8 1.0 C2D C:HEC201 4.2 16.5 1.0 C3A C:HEC201 4.2 16.0 1.0 C3D C:HEC201 4.2 15.8 1.0 C2B C:HEC201 4.2 18.1 1.0 C3C C:HEC201 4.3 19.4 1.0 CB C:MET80 4.3 19.6 1.0 C3B C:HEC201 4.3 18.9 1.0 C2C C:HEC201 4.3 17.8 1.0 OH C:TYR67 4.9 20.8 1.0

Iron binding site 3 out of 3 in the Crystal Structure of N63T Yeast 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 Crystal Structure of N63T Yeast Iso-1-Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe201 b:25.0 occ:1.00 FE E:HEC201 0.0 25.0 1.0 ND E:HEC201 1.9 26.1 1.0 NE2 E:HIS18 1.9 19.6 1.0 NA E:HEC201 2.0 25.6 1.0 NB E:HEC201 2.1 24.7 1.0 NC E:HEC201 2.1 27.8 1.0 SD E:MET80 2.3 33.6 1.0 CE1 E:HIS18 2.8 20.3 1.0 C1D E:HEC201 2.9 23.9 1.0 C4D E:HEC201 2.9 25.5 1.0 C4A E:HEC201 3.0 26.0 1.0 C1A E:HEC201 3.0 24.2 1.0 CD2 E:HIS18 3.0 21.4 1.0 C4B E:HEC201 3.1 25.1 1.0 C1B E:HEC201 3.1 23.7 1.0 C4C E:HEC201 3.1 28.2 1.0 C1C E:HEC201 3.1 27.8 1.0 CHD E:HEC201 3.4 26.2 1.0 CHB E:HEC201 3.4 23.0 1.0 CE E:MET80 3.4 31.5 1.0 CHA E:HEC201 3.4 22.0 1.0 CHC E:HEC201 3.4 26.9 1.0 CG E:MET80 3.5 33.6 1.0 ND1 E:HIS18 3.9 19.9 1.0 CG E:HIS18 4.1 20.4 1.0 C2D E:HEC201 4.1 25.2 1.0 C3D E:HEC201 4.2 26.4 1.0 C2A E:HEC201 4.2 25.2 1.0 C3A E:HEC201 4.2 25.9 1.0 CB E:MET80 4.3 35.5 1.0 C2B E:HEC201 4.3 22.2 1.0 C3B E:HEC201 4.3 24.3 1.0 C2C E:HEC201 4.3 30.6 1.0 C3C E:HEC201 4.4 29.6 1.0 OH E:TYR67 4.8 24.0 1.0

A.K.Frederick, S.L.Thompson, Z.M.Vakharia, M.M.Cherney, H.Lei, G.Evenson, B.E.Bowler. Effect on Intrinsic Peroxidase Activity of Substituting Coevolved Residues From Omega-Loop C of Human Cytochrome C Into Yeast Iso-1-Cytochrome C. J.Inorg.Biochem. V. 232 11819 2022.
ISSN: ISSN 0162-0134
PubMed: 35428021
DOI: 10.1016/J.JINORGBIO.2022.111819