Iron in PDB 4o6y: Crystal Structure of Cytochrome B561

All present enzymatic activity of Crystal Structure of Cytochrome B561:
1.16.5.1;

The structure of Crystal Structure of Cytochrome B561, PDB code: 4o6y was solved by P.Lu, D.Ma, C.Yan, X.Gong, M.Du, Y.Shi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.13 / 1.70
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	73.275, 108.514, 110.785, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 21.6

The binding sites of Iron atom in the Crystal Structure of Cytochrome B561 (pdb code 4o6y). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Cytochrome B561, PDB code: 4o6y:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Cytochrome B561


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 Cytochrome B561 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:25.1 occ:1.00 FE A:HEM301 0.0 25.1 1.0 NB A:HEM301 2.0 21.2 1.0 ND A:HEM301 2.1 23.6 1.0 NA A:HEM301 2.1 23.2 1.0 NC A:HEM301 2.1 22.3 1.0 NE2 A:HIS51 2.1 23.8 1.0 NE2 A:HIS118 2.2 23.2 1.0 C4B A:HEM301 3.1 24.4 1.0 C1B A:HEM301 3.1 24.1 1.0 CD2 A:HIS51 3.1 23.5 1.0 CE1 A:HIS51 3.1 24.4 1.0 C1D A:HEM301 3.1 25.0 1.0 C1C A:HEM301 3.1 21.6 1.0 C4A A:HEM301 3.1 23.6 1.0 C4D A:HEM301 3.1 26.4 1.0 C1A A:HEM301 3.1 25.2 1.0 C4C A:HEM301 3.1 22.2 1.0 CD2 A:HIS118 3.1 23.6 1.0 CE1 A:HIS118 3.1 23.4 1.0 CHC A:HEM301 3.4 24.9 1.0 CHB A:HEM301 3.5 24.8 1.0 CHD A:HEM301 3.5 25.2 1.0 CHA A:HEM301 3.5 30.1 1.0 ND1 A:HIS51 4.2 24.4 1.0 CG A:HIS51 4.2 24.7 1.0 ND1 A:HIS118 4.3 22.9 1.0 CG A:HIS118 4.3 22.1 1.0 C3B A:HEM301 4.3 25.0 1.0 C2B A:HEM301 4.4 25.4 1.0 C2D A:HEM301 4.4 26.3 1.0 C3D A:HEM301 4.4 27.1 1.0 C3C A:HEM301 4.4 26.9 1.0 C3A A:HEM301 4.4 25.5 1.0 C2C A:HEM301 4.4 25.8 1.0 C2A A:HEM301 4.4 27.6 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Cytochrome B561


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 Cytochrome B561 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:26.6 occ:1.00 FE A:HEM302 0.0 26.6 1.0 ND A:HEM302 2.0 24.1 1.0 NB A:HEM302 2.1 24.2 1.0 NC A:HEM302 2.1 23.4 1.0 NA A:HEM302 2.1 26.3 1.0 NE2 A:HIS157 2.2 25.4 1.0 NE2 A:HIS84 2.2 26.9 1.0 C1D A:HEM302 3.0 28.3 1.0 C4B A:HEM302 3.1 26.8 1.0 C4D A:HEM302 3.1 30.1 1.0 CD2 A:HIS84 3.1 26.9 1.0 CD2 A:HIS157 3.1 25.1 1.0 C1B A:HEM302 3.1 23.4 1.0 C4A A:HEM302 3.1 26.0 1.0 C4C A:HEM302 3.1 25.9 1.0 C1A A:HEM302 3.1 27.8 1.0 C1C A:HEM302 3.1 26.6 1.0 CE1 A:HIS157 3.3 25.5 1.0 CE1 A:HIS84 3.3 28.3 1.0 CHD A:HEM302 3.4 27.4 1.0 CHB A:HEM302 3.5 24.1 1.0 CHC A:HEM302 3.5 25.5 1.0 CHA A:HEM302 3.5 30.8 1.0 CG A:HIS84 4.3 27.7 1.0 CG A:HIS157 4.3 26.1 1.0 C3B A:HEM302 4.3 24.6 1.0 ND1 A:HIS157 4.3 25.2 1.0 ND1 A:HIS84 4.3 26.4 1.0 C2D A:HEM302 4.3 27.9 1.0 C3D A:HEM302 4.4 30.3 1.0 C2B A:HEM302 4.4 25.8 1.0 C3C A:HEM302 4.4 27.8 1.0 C3A A:HEM302 4.4 26.9 1.0 C2A A:HEM302 4.4 27.7 1.0 C2C A:HEM302 4.4 28.2 1.0 CE1 A:TYR70 4.8 34.6 1.0 OH A:TYR70 4.8 35.0 1.0 NE2 A:GLN132 4.9 25.5 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Cytochrome B561


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 Cytochrome B561 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:24.0 occ:1.00 FE B:HEM301 0.0 24.0 1.0 NB B:HEM301 2.1 19.9 1.0 ND B:HEM301 2.1 20.2 1.0 NA B:HEM301 2.1 22.8 1.0 NC B:HEM301 2.1 21.9 1.0 NE2 B:HIS51 2.1 24.7 1.0 NE2 B:HIS118 2.2 22.6 1.0 CE1 B:HIS51 3.0 24.7 1.0 C4B B:HEM301 3.1 23.3 1.0 CD2 B:HIS51 3.1 23.0 1.0 C1C B:HEM301 3.1 23.6 1.0 C4A B:HEM301 3.1 22.7 1.0 C1D B:HEM301 3.1 26.5 1.0 C1B B:HEM301 3.1 23.4 1.0 C1A B:HEM301 3.1 23.2 1.0 C4D B:HEM301 3.1 25.4 1.0 C4C B:HEM301 3.1 21.6 1.0 CD2 B:HIS118 3.1 23.5 1.0 CE1 B:HIS118 3.1 22.2 1.0 CHC B:HEM301 3.4 25.3 1.0 CHB B:HEM301 3.5 22.1 1.0 CHD B:HEM301 3.5 25.2 1.0 CHA B:HEM301 3.5 25.0 1.0 ND1 B:HIS51 4.2 24.6 1.0 CG B:HIS51 4.2 24.2 1.0 ND1 B:HIS118 4.3 21.9 1.0 CG B:HIS118 4.3 22.9 1.0 C3B B:HEM301 4.3 22.6 1.0 C3C B:HEM301 4.4 24.6 1.0 C2D B:HEM301 4.4 26.9 1.0 C3A B:HEM301 4.4 24.1 1.0 C2B B:HEM301 4.4 23.4 1.0 C3D B:HEM301 4.4 25.5 1.0 C2C B:HEM301 4.4 24.6 1.0 C2A B:HEM301 4.4 26.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Cytochrome B561


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Cytochrome B561 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:30.8 occ:1.00 FE B:HEM302 0.0 30.8 1.0 ND B:HEM302 2.1 29.7 1.0 NA B:HEM302 2.1 27.0 1.0 NB B:HEM302 2.1 27.4 1.0 NC B:HEM302 2.1 30.3 1.0 NE2 B:HIS157 2.3 31.7 1.0 NE2 B:HIS84 2.3 30.1 1.0 C1D B:HEM302 3.1 30.1 1.0 C1B B:HEM302 3.1 26.5 1.0 C4D B:HEM302 3.1 34.4 1.0 C4B B:HEM302 3.1 29.3 1.0 C1A B:HEM302 3.1 30.1 1.0 C4A B:HEM302 3.1 25.4 1.0 C4C B:HEM302 3.1 29.9 1.0 CD2 B:HIS84 3.1 30.2 1.0 C1C B:HEM302 3.1 29.4 1.0 CD2 B:HIS157 3.1 31.6 1.0 CE1 B:HIS157 3.3 32.7 1.0 CE1 B:HIS84 3.3 30.0 1.0 CHD B:HEM302 3.4 31.1 1.0 CHB B:HEM302 3.4 25.7 1.0 CHA B:HEM302 3.5 32.0 1.0 CHC B:HEM302 3.5 29.1 1.0 CG B:HIS84 4.3 31.0 1.0 CG B:HIS157 4.3 32.1 1.0 C3B B:HEM302 4.4 27.4 1.0 ND1 B:HIS157 4.4 31.2 1.0 ND1 B:HIS84 4.4 29.3 1.0 C2D B:HEM302 4.4 34.8 1.0 C3D B:HEM302 4.4 34.3 1.0 C2B B:HEM302 4.4 25.8 1.0 C2A B:HEM302 4.4 30.8 1.0 C3C B:HEM302 4.4 33.5 1.0 C3A B:HEM302 4.4 30.0 1.0 C2C B:HEM302 4.4 31.8 1.0 NE2 B:GLN132 4.9 30.4 1.0

P.Lu, D.Ma, C.Yan, X.Gong, M.Du, Y.Shi. Structure and Mechanism of A Eukaryotic Transmembrane Ascorbate-Dependent Oxidoreductase Proc.Natl.Acad.Sci.Usa V. 111 1813 2014.
ISSN: ISSN 0027-8424
PubMed: 24449903
DOI: 10.1073/PNAS.1323931111