Iron in PDB 5dfs: Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom

The structure of Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom, PDB code: 5dfs was solved by T.C.Mou, L.J.Mcclelland, M.E.Jeakins-Cooley, M.E.Goldes, 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)	14.75 / 1.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.534, 42.733, 67.654, 90.00, 94.47, 90.00
R / Rfree (%)	16 / 18.3

The structure of Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom (pdb code 5dfs). 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 Spider Monkey Cytochrome C at 1.15 Angstrom, PDB code: 5dfs:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom


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 Spider Monkey Cytochrome C at 1.15 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:6.9 occ:1.00 FE A:HEM201 0.0 6.9 1.0 NC A:HEM201 1.9 7.8 1.0 NA A:HEM201 2.0 7.1 1.0 NB A:HEM201 2.0 6.8 1.0 ND A:HEM201 2.0 7.3 1.0 NE2 A:HIS18 2.0 7.3 1.0 SD A:MET80 2.3 7.2 1.0 CE1 A:HIS18 3.0 6.8 1.0 C1B A:HEM201 3.0 7.2 1.0 C4C A:HEM201 3.0 5.9 1.0 C4A A:HEM201 3.0 6.6 1.0 C1C A:HEM201 3.0 7.4 1.0 C1A A:HEM201 3.0 6.0 1.0 C1D A:HEM201 3.0 6.4 1.0 C4B A:HEM201 3.0 7.6 1.0 C4D A:HEM201 3.0 7.1 1.0 CD2 A:HIS18 3.1 6.8 1.0 HE1 A:HIS18 3.1 8.1 1.0 HD2 A:HIS18 3.3 8.2 1.0 HG3 A:MET80 3.3 8.5 1.0 CE A:MET80 3.4 8.6 1.0 CHD A:HEM201 3.4 6.8 1.0 CHB A:HEM201 3.4 7.8 1.0 CHA A:HEM201 3.4 7.2 1.0 CG A:MET80 3.4 7.1 1.0 CHC A:HEM201 3.4 8.4 1.0 HE3 A:MET80 3.5 10.3 1.0 HE1 A:MET80 3.5 10.3 1.0 HB2 A:MET80 3.7 8.3 1.0 HH A:TYR67 4.1 11.0 1.0 ND1 A:HIS18 4.1 7.1 1.0 CG A:HIS18 4.2 7.3 1.0 CB A:MET80 4.2 6.9 1.0 HG2 A:MET80 4.2 8.5 1.0 C2B A:HEM201 4.2 7.9 1.0 C3C A:HEM201 4.2 6.8 1.0 HE2 A:MET80 4.2 10.3 1.0 C3A A:HEM201 4.2 6.8 1.0 C2C A:HEM201 4.2 7.3 1.0 C2A A:HEM201 4.2 6.2 1.0 C2D A:HEM201 4.3 7.5 1.0 C3B A:HEM201 4.3 8.1 1.0 C3D A:HEM201 4.3 6.6 1.0 HHC A:HEM201 4.3 10.1 1.0 HHD A:HEM201 4.3 8.2 1.0 HHA A:HEM201 4.4 8.7 1.0 HHB A:HEM201 4.4 9.3 1.0 HA3 A:GLY29 4.5 8.7 1.0 HE2 A:TYR67 4.6 7.6 1.0 HD2 A:PRO30 4.6 8.6 1.0 HB2 A:CYS17 4.7 11.4 1.0 HB3 A:MET80 4.8 8.3 1.0 OH A:TYR67 4.9 9.2 1.0 HD21 A:LEU32 5.0 11.1 1.0 HA A:MET80 5.0 8.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom


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 Spider Monkey Cytochrome C at 1.15 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:5.8 occ:1.00 FE B:HEM201 0.0 5.8 1.0 NB B:HEM201 2.0 6.2 1.0 NE2 B:HIS18 2.0 5.7 1.0 NC B:HEM201 2.0 6.3 1.0 ND B:HEM201 2.0 6.1 1.0 NA B:HEM201 2.0 5.9 1.0 SD B:MET80 2.3 6.4 1.0 CE1 B:HIS18 3.0 5.7 1.0 C1B B:HEM201 3.0 5.0 1.0 C4B B:HEM201 3.0 6.2 1.0 C1D B:HEM201 3.0 5.5 1.0 C4D B:HEM201 3.0 5.7 1.0 CD2 B:HIS18 3.0 4.9 1.0 C4C B:HEM201 3.0 6.5 1.0 C1A B:HEM201 3.0 6.4 1.0 C4A B:HEM201 3.0 5.2 1.0 C1C B:HEM201 3.1 6.5 1.0 HE1 B:HIS18 3.1 6.8 1.0 HD2 B:HIS18 3.2 5.9 1.0 HG3 B:MET80 3.2 8.0 1.0 CE B:MET80 3.3 7.5 1.0 CHC B:HEM201 3.4 6.3 1.0 CG B:MET80 3.4 6.6 1.0 CHB B:HEM201 3.4 6.8 1.0 CHD B:HEM201 3.4 6.2 1.0 CHA B:HEM201 3.4 6.1 1.0 HE3 B:MET80 3.4 9.0 1.0 HE1 B:MET80 3.4 9.0 1.0 HB2 B:MET80 3.8 7.4 1.0 HH B:TYR67 4.1 10.8 1.0 ND1 B:HIS18 4.1 6.4 1.0 HG2 B:MET80 4.1 8.0 1.0 CG B:HIS18 4.2 5.8 1.0 CB B:MET80 4.2 6.2 1.0 HE2 B:MET80 4.2 9.0 1.0 C3B B:HEM201 4.2 6.1 1.0 C2B B:HEM201 4.2 5.8 1.0 C2D B:HEM201 4.2 6.0 1.0 C3C B:HEM201 4.2 6.8 1.0 C3A B:HEM201 4.3 6.4 1.0 C3D B:HEM201 4.3 6.7 1.0 C2C B:HEM201 4.3 6.3 1.0 C2A B:HEM201 4.3 7.0 1.0 HHD B:HEM201 4.3 7.5 1.0 HHC B:HEM201 4.3 7.6 1.0 HHB B:HEM201 4.4 8.2 1.0 HHA B:HEM201 4.4 7.3 1.0 HE2 B:TYR67 4.6 9.6 1.0 HA3 B:GLY29 4.6 7.7 1.0 HD2 B:PRO30 4.6 8.7 1.0 HB2 B:CYS17 4.7 7.9 1.0 HB3 B:MET80 4.8 7.4 1.0 OH B:TYR67 4.9 9.0 1.0

M.E.Goldes, M.E.Jeakins-Cooley, L.J.Mcclelland, T.C.Mou, B.E.Bowler. Disruption of A Hydrogen Bond Network in Human Versus Spider Monkey Cytochrome C Affects Heme Crevice Stability. J.Inorg.Biochem. V. 158 62 2016.
ISSN: ISSN 0162-0134
PubMed: 26775610
DOI: 10.1016/J.JINORGBIO.2015.12.025