Iron in PDB 3mus: 2A Resolution Structure of Rat Type B Cytochrome B5

The structure of 2A Resolution Structure of Rat Type B Cytochrome B5, PDB code: 3mus was solved by S.Terzyan, X.Zhang, D.R.Benson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.260, 71.130, 72.800, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 22.3

The binding sites of Iron atom in the 2A Resolution Structure of Rat Type B Cytochrome B5 (pdb code 3mus). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 2A Resolution Structure of Rat Type B Cytochrome B5, PDB code: 3mus:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 2A Resolution Structure of Rat Type B Cytochrome B5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 2A Resolution Structure of Rat Type B Cytochrome B5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:22.7 occ:1.00 FE A:HEM201 0.0 22.7 1.0 ND A:HEM201 1.9 22.8 1.0 NB A:HEM201 2.0 21.8 1.0 NC A:HEM201 2.0 21.7 1.0 NA A:HEM201 2.0 22.7 1.0 NE2 A:HIS39 2.1 21.2 1.0 NE2 A:HIS63 2.1 21.8 1.0 C1D A:HEM201 3.0 23.6 1.0 C4D A:HEM201 3.0 24.3 1.0 C1B A:HEM201 3.0 21.6 1.0 C4B A:HEM201 3.0 21.8 1.0 CD2 A:HIS63 3.1 23.1 1.0 C1A A:HEM201 3.1 23.7 1.0 C4C A:HEM201 3.1 21.6 1.0 C4A A:HEM201 3.1 23.1 1.0 C1C A:HEM201 3.1 21.7 1.0 CE1 A:HIS39 3.1 21.8 1.0 CD2 A:HIS39 3.1 23.1 1.0 CE1 A:HIS63 3.2 21.9 1.0 CHD A:HEM201 3.4 20.1 1.0 CHA A:HEM201 3.4 23.1 1.0 CHB A:HEM201 3.4 21.8 1.0 CHC A:HEM201 3.4 21.3 1.0 ND1 A:HIS39 4.2 22.5 1.0 CG A:HIS63 4.2 22.8 1.0 C2B A:HEM201 4.2 22.2 1.0 C2D A:HEM201 4.3 23.6 1.0 C2A A:HEM201 4.3 22.9 1.0 CG A:HIS39 4.3 23.4 1.0 ND1 A:HIS63 4.3 21.1 1.0 C3A A:HEM201 4.3 24.2 1.0 C3B A:HEM201 4.3 23.4 1.0 C3D A:HEM201 4.3 25.5 1.0 C2C A:HEM201 4.3 21.9 1.0 C3C A:HEM201 4.3 23.1 1.0 N A:GLY41 5.0 25.8 1.0

Iron binding site 2 out of 2 in the 2A Resolution Structure of Rat Type B Cytochrome B5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 2A Resolution Structure of Rat Type B Cytochrome B5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:28.4 occ:1.00 FE B:HEM201 0.0 28.4 1.0 NB B:HEM201 1.9 27.7 1.0 ND B:HEM201 1.9 30.4 1.0 NA B:HEM201 2.0 29.4 1.0 NC B:HEM201 2.0 28.4 1.0 NE2 B:HIS63 2.1 29.1 1.0 NE2 B:HIS39 2.2 29.7 1.0 C1B B:HEM201 3.0 27.8 1.0 C4B B:HEM201 3.0 27.1 1.0 C1D B:HEM201 3.0 30.6 1.0 C4D B:HEM201 3.0 31.6 1.0 CD2 B:HIS39 3.0 28.8 1.0 CD2 B:HIS63 3.0 28.2 1.0 C1A B:HEM201 3.1 29.7 1.0 C4A B:HEM201 3.1 28.4 1.0 C1C B:HEM201 3.1 27.1 1.0 C4C B:HEM201 3.1 27.8 1.0 CE1 B:HIS63 3.1 29.3 1.0 CE1 B:HIS39 3.2 28.5 1.0 CHC B:HEM201 3.4 26.6 1.0 CHB B:HEM201 3.4 28.0 1.0 CHD B:HEM201 3.4 28.7 1.0 CHA B:HEM201 3.4 30.6 1.0 CG B:HIS63 4.2 29.9 1.0 ND1 B:HIS63 4.2 29.5 1.0 C2B B:HEM201 4.2 27.6 1.0 CG B:HIS39 4.2 29.4 1.0 C2A B:HEM201 4.3 29.9 1.0 C2D B:HEM201 4.3 32.1 1.0 C3A B:HEM201 4.3 29.9 1.0 C3D B:HEM201 4.3 33.8 1.0 C3B B:HEM201 4.3 27.7 1.0 ND1 B:HIS39 4.3 27.7 1.0 C3C B:HEM201 4.3 29.1 1.0 C2C B:HEM201 4.3 28.3 1.0

S.Parthasarathy, A.Altuve, S.Terzyan, X.Zhang, K.Kuczera, M.Rivera, D.R.Benson. Accommodating A Non-Conservative Internal Mutation By Water-Mediated Hydrogen-Bonding Between Beta-Sheet Strands: A Comparison of Human and Rat Type B (Mitochondrial) Cytochrome B5 Biochemistry V. 50 5544 2011.
ISSN: ISSN 0006-2960
PubMed: 21574570
DOI: 10.1021/BI2004729