Iron in PDB 2ibj: Structure of House Fly Cytochrome B5

The structure of Structure of House Fly Cytochrome B5, PDB code: 2ibj was solved by S.Terzyan, X.C.Zhang, D.R.Benson, L.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.201, 40.222, 70.245, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 19.4

The structure of Structure of House Fly Cytochrome B5 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Iron atom in the Structure of House Fly Cytochrome B5 (pdb code 2ibj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of House Fly Cytochrome B5, PDB code: 2ibj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of House Fly Cytochrome B5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of House Fly Cytochrome B5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:8.8 occ:0.50 FE A:HEM201 0.0 8.8 0.5 FE A:HEM201 0.3 8.7 0.5 NC A:HEM201 1.9 8.1 0.5 ND A:HEM201 1.9 8.0 0.5 NE2 A:HIS39 1.9 7.8 1.0 NB A:HEM201 2.0 6.7 0.5 NB A:HEM201 2.0 7.9 0.5 NA A:HEM201 2.0 7.0 0.5 ND A:HEM201 2.0 8.0 0.5 NC A:HEM201 2.0 8.0 0.5 NE2 A:HIS63 2.1 8.1 1.0 NA A:HEM201 2.1 8.5 0.5 CE1 A:HIS39 2.9 6.9 1.0 C1D A:HEM201 2.9 9.5 0.5 C1C A:HEM201 2.9 9.0 0.5 C4C A:HEM201 2.9 8.4 0.5 CD2 A:HIS39 3.0 8.0 1.0 C4B A:HEM201 3.0 6.9 0.5 C1B A:HEM201 3.0 5.8 0.5 C1A A:HEM201 3.0 7.2 0.5 C4D A:HEM201 3.0 7.4 0.5 C4D A:HEM201 3.0 8.0 0.5 C4A A:HEM201 3.0 7.8 0.5 C1D A:HEM201 3.1 8.2 0.5 C4C A:HEM201 3.1 7.5 0.5 C4B A:HEM201 3.1 8.4 0.5 C1B A:HEM201 3.1 7.5 0.5 C1C A:HEM201 3.1 7.9 0.5 CE1 A:HIS63 3.1 8.1 1.0 CD2 A:HIS63 3.2 10.4 1.0 C1A A:HEM201 3.2 8.6 0.5 C4A A:HEM201 3.2 8.6 0.5 CHD A:HEM201 3.3 8.2 0.5 CHC A:HEM201 3.3 9.5 0.5 CHA A:HEM201 3.4 7.1 0.5 CHB A:HEM201 3.4 5.5 0.5 CHD A:HEM201 3.4 8.0 0.5 CHC A:HEM201 3.5 8.2 0.5 CHA A:HEM201 3.5 8.5 0.5 CHB A:HEM201 3.5 7.9 0.5 ND1 A:HIS39 4.0 8.1 1.0 CG A:HIS39 4.1 7.7 1.0 C2C A:HEM201 4.2 8.7 0.5 C2D A:HEM201 4.2 8.3 0.5 C3C A:HEM201 4.2 7.0 0.5 C2B A:HEM201 4.2 7.3 0.5 C2A A:HEM201 4.2 7.7 0.5 ND1 A:HIS63 4.2 8.7 1.0 C3A A:HEM201 4.2 7.5 0.5 C2B A:HEM201 4.3 7.6 0.5 C3B A:HEM201 4.3 9.3 0.5 C3D A:HEM201 4.3 8.7 0.5 CG A:HIS63 4.3 9.0 1.0 C3B A:HEM201 4.3 7.7 0.5 C2D A:HEM201 4.3 6.8 0.5 C3D A:HEM201 4.3 7.5 0.5 C3C A:HEM201 4.3 8.5 0.5 C2C A:HEM201 4.3 8.9 0.5 C2A A:HEM201 4.4 9.2 0.5 C3A A:HEM201 4.4 7.8 0.5

Iron binding site 2 out of 2 in the Structure of House Fly Cytochrome B5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of House Fly Cytochrome B5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:8.7 occ:0.50 FE A:HEM201 0.0 8.7 0.5 FE A:HEM201 0.3 8.8 0.5 ND A:HEM201 1.8 8.0 0.5 NB A:HEM201 1.9 7.9 0.5 NE2 A:HIS63 1.9 8.1 1.0 ND A:HEM201 2.0 8.0 0.5 NC A:HEM201 2.0 8.0 0.5 NA A:HEM201 2.0 8.5 0.5 NC A:HEM201 2.0 8.1 0.5 NA A:HEM201 2.0 7.0 0.5 NB A:HEM201 2.1 6.7 0.5 NE2 A:HIS39 2.1 7.8 1.0 C1D A:HEM201 2.9 8.2 0.5 C4D A:HEM201 2.9 7.4 0.5 CD2 A:HIS63 2.9 10.4 1.0 CE1 A:HIS63 2.9 8.1 1.0 C1B A:HEM201 3.0 7.5 0.5 C4C A:HEM201 3.0 7.5 0.5 C4B A:HEM201 3.0 6.9 0.5 C4D A:HEM201 3.0 8.0 0.5 C1A A:HEM201 3.0 7.2 0.5 C1D A:HEM201 3.0 9.5 0.5 C1A A:HEM201 3.0 8.6 0.5 C4A A:HEM201 3.0 8.6 0.5 C1C A:HEM201 3.1 9.0 0.5 C4C A:HEM201 3.1 8.4 0.5 C1C A:HEM201 3.1 7.9 0.5 CD2 A:HIS39 3.1 8.0 1.0 CE1 A:HIS39 3.1 6.9 1.0 C4A A:HEM201 3.1 7.8 0.5 C1B A:HEM201 3.2 5.8 0.5 C4B A:HEM201 3.2 8.4 0.5 CHD A:HEM201 3.3 8.0 0.5 CHA A:HEM201 3.3 7.1 0.5 CHC A:HEM201 3.4 9.5 0.5 CHB A:HEM201 3.4 7.9 0.5 CHA A:HEM201 3.4 8.5 0.5 CHD A:HEM201 3.5 8.2 0.5 CHC A:HEM201 3.6 8.2 0.5 CHB A:HEM201 3.6 5.5 0.5 ND1 A:HIS63 4.0 8.7 1.0 CG A:HIS63 4.1 9.0 1.0 C2D A:HEM201 4.1 6.8 0.5 C3D A:HEM201 4.1 7.5 0.5 C2B A:HEM201 4.2 7.6 0.5 C2A A:HEM201 4.2 9.2 0.5 C3B A:HEM201 4.2 9.3 0.5 C3A A:HEM201 4.2 7.8 0.5 ND1 A:HIS39 4.2 8.1 1.0 C3C A:HEM201 4.3 8.5 0.5 C2A A:HEM201 4.3 7.7 0.5 C2D A:HEM201 4.3 8.3 0.5 CG A:HIS39 4.3 7.7 1.0 C3D A:HEM201 4.3 8.7 0.5 C2C A:HEM201 4.3 8.7 0.5 C2C A:HEM201 4.3 8.9 0.5 C3A A:HEM201 4.3 7.5 0.5 C3C A:HEM201 4.3 7.0 0.5 C2B A:HEM201 4.4 7.3 0.5 C3B A:HEM201 4.4 7.7 0.5

L.Wang, A.B.Cowley, S.Terzyan, X.Zhang, D.R.Benson. Comparison of Cytochromes B(5) From Insects and Vertebrates. Proteins V. 67 293 2007.
ISSN: ISSN 0887-3585
PubMed: 17299762
DOI: 10.1002/PROT.21250