Iron in PDB 5ty3: Crystal Structure of K72A Variant of Human Cytochrome C

The structure of Crystal Structure of K72A Variant of Human Cytochrome C, PDB code: 5ty3 was solved by T.C.Mou, S.M.Nold, H.Lei, S.R.Sprang, B.E.Bowler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.83 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.794, 37.902, 60.254, 90.00, 116.79, 90.00
R / Rfree (%)	14.7 / 16.6

The binding sites of Iron atom in the Crystal Structure of K72A Variant of Human Cytochrome C (pdb code 5ty3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of K72A Variant of Human Cytochrome C, PDB code: 5ty3:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of K72A Variant of Human 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 K72A Variant of Human Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:7.3 occ:1.00 FE A:HEC201 0.0 7.3 1.0 ND A:HEC201 2.0 7.6 1.0 NE2 A:HIS18 2.0 8.0 1.0 NA A:HEC201 2.0 7.2 1.0 NC A:HEC201 2.0 7.7 1.0 NB A:HEC201 2.0 7.5 1.0 SD A:MET80 2.3 7.5 1.0 CE1 A:HIS18 2.9 8.3 1.0 C1D A:HEC201 3.0 7.3 1.0 C1A A:HEC201 3.0 7.8 1.0 C4C A:HEC201 3.0 7.2 1.0 C4A A:HEC201 3.0 7.8 1.0 C1B A:HEC201 3.0 7.2 1.0 CD2 A:HIS18 3.0 8.2 1.0 C4D A:HEC201 3.0 7.5 1.0 C1C A:HEC201 3.0 7.1 1.0 C4B A:HEC201 3.0 7.8 1.0 HE1 A:HIS18 3.1 9.9 1.0 HG3 A:MET80 3.2 8.8 1.0 HD2 A:HIS18 3.2 9.9 1.0 CE A:MET80 3.3 9.4 1.0 CHD A:HEC201 3.4 7.2 1.0 CHB A:HEC201 3.4 7.7 1.0 CHA A:HEC201 3.4 8.1 1.0 CG A:MET80 3.4 7.3 1.0 HE3 A:MET80 3.4 11.3 1.0 CHC A:HEC201 3.4 7.8 1.0 HE1 A:MET80 3.5 11.3 1.0 HB2 A:MET80 3.8 8.9 1.0 ND1 A:HIS18 4.1 8.1 1.0 HH A:TYR67 4.1 12.8 1.0 HG2 A:MET80 4.1 8.8 1.0 CG A:HIS18 4.2 8.0 1.0 CB A:MET80 4.2 7.5 1.0 HE2 A:MET80 4.2 11.3 1.0 C2B A:HEC201 4.2 7.3 1.0 C3C A:HEC201 4.2 7.4 1.0 C2A A:HEC201 4.2 8.3 1.0 C2D A:HEC201 4.2 8.0 1.0 C2C A:HEC201 4.3 8.3 1.0 C3B A:HEC201 4.3 8.2 1.0 C3A A:HEC201 4.3 7.5 1.0 C3D A:HEC201 4.3 7.5 1.0 HHD A:HEC201 4.4 8.7 1.0 HHB A:HEC201 4.4 9.2 1.0 HHA A:HEC201 4.4 9.7 1.0 HHC A:HEC201 4.4 9.4 1.0 HA3 A:GLY29 4.6 10.3 1.0 HE2 A:TYR67 4.7 11.3 1.0 HD2 A:PRO30 4.7 10.8 1.0 HB2 A:CYS17 4.7 11.3 1.0 HB3 A:MET80 4.8 8.9 1.0 HD1 A:HIS18 4.9 9.7 1.0 OH A:TYR67 4.9 10.6 1.0 HD21 A:LEU32 4.9 13.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of K72A Variant of Human 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 K72A Variant of Human Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:7.1 occ:1.00 FE B:HEC201 0.0 7.1 1.0 NA B:HEC201 2.0 7.1 1.0 NE2 B:HIS18 2.0 7.9 1.0 NC B:HEC201 2.0 6.9 1.0 NB B:HEC201 2.0 7.2 1.0 ND B:HEC201 2.0 6.8 1.0 SD B:MET80 2.3 7.2 1.0 CE1 B:HIS18 2.9 8.3 1.0 C1B B:HEC201 3.0 7.5 1.0 C4A B:HEC201 3.0 7.4 1.0 C1D B:HEC201 3.0 6.5 1.0 C4C B:HEC201 3.0 7.1 1.0 C4B B:HEC201 3.0 7.2 1.0 C1A B:HEC201 3.0 7.5 1.0 C4D B:HEC201 3.0 6.5 1.0 C1C B:HEC201 3.0 7.5 1.0 CD2 B:HIS18 3.0 8.2 1.0 HE1 B:HIS18 3.1 9.9 1.0 HD2 B:HIS18 3.3 9.8 1.0 HG3 B:MET80 3.3 9.0 1.0 CE B:MET80 3.3 8.5 1.0 CHB B:HEC201 3.4 7.1 1.0 CHA B:HEC201 3.4 7.0 1.0 CHD B:HEC201 3.4 6.9 1.0 CHC B:HEC201 3.4 8.0 1.0 HE3 B:MET80 3.4 10.2 1.0 CG B:MET80 3.4 7.5 1.0 HE1 B:MET80 3.4 10.2 1.0 HB2 B:MET80 3.8 8.9 1.0 HH B:TYR67 4.1 12.4 1.0 ND1 B:HIS18 4.1 8.2 1.0 CG B:HIS18 4.2 7.4 1.0 HG2 B:MET80 4.2 9.0 1.0 HE2 B:MET80 4.2 10.2 1.0 CB B:MET80 4.2 7.4 1.0 C3C B:HEC201 4.2 7.3 1.0 C2D B:HEC201 4.2 8.2 1.0 C3B B:HEC201 4.3 8.1 1.0 C2A B:HEC201 4.3 7.9 1.0 C3D B:HEC201 4.3 7.2 1.0 C2B B:HEC201 4.3 7.5 1.0 C3A B:HEC201 4.3 7.9 1.0 C2C B:HEC201 4.3 7.3 1.0 HHB B:HEC201 4.4 8.5 1.0 HHA B:HEC201 4.4 8.3 1.0 HHD B:HEC201 4.4 8.3 1.0 HHC B:HEC201 4.4 9.5 1.0 HA3 B:GLY29 4.6 10.7 1.0 HD2 B:PRO30 4.6 11.3 1.0 HE2 B:TYR67 4.6 10.4 1.0 HB2 B:CYS17 4.8 11.7 1.0 HB3 B:MET80 4.8 8.9 1.0 HD1 B:HIS18 4.9 9.9 1.0 OH B:TYR67 4.9 10.3 1.0 HD21 B:LEU32 5.0 12.6 1.0

S.M.Nold, H.Lei, T.C.Mou, B.E.Bowler. Effect of A K72A Mutation on the Structure, Stability, Dynamics, and Peroxidase Activity of Human Cytochrome C. Biochemistry V. 56 3358 2017.
ISSN: ISSN 1520-4995
PubMed: 28598148
DOI: 10.1021/ACS.BIOCHEM.7B00342