Iron in PDB 1lj0: Structure of Quintuple Mutant of the Rat Outer Mitocondrial Cytochrome B5.

The structure of Structure of Quintuple Mutant of the Rat Outer Mitocondrial Cytochrome B5., PDB code: 1lj0 was solved by A.B.Cowley, A.Altuve, O.Kuchment, S.Terzyan, X.C.Zhang, M.Rivera, D.Benson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.753, 50.854, 167.397, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 25.1

The structure of Structure of Quintuple Mutant of the Rat Outer Mitocondrial Cytochrome B5. also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Iron atom in the Structure of Quintuple Mutant of the Rat Outer Mitocondrial Cytochrome B5. (pdb code 1lj0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Quintuple Mutant of the Rat Outer Mitocondrial Cytochrome B5., PDB code: 1lj0:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of Quintuple Mutant of the Rat Outer Mitocondrial 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 Quintuple Mutant of the Rat Outer Mitocondrial Cytochrome B5. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:26.9 occ:1.00 FE A:HEM201 0.0 26.9 1.0 ND A:HEM201 1.9 29.1 1.0 NB A:HEM201 2.0 27.8 1.0 NA A:HEM201 2.0 28.2 1.0 NC A:HEM201 2.0 27.8 1.0 NE2 A:HIS63 2.1 28.5 1.0 NE2 A:HIS39 2.2 26.5 1.0 CD2 A:HIS63 3.0 28.1 1.0 C1B A:HEM201 3.0 27.9 1.0 C1D A:HEM201 3.0 29.6 1.0 CD2 A:HIS39 3.0 26.4 1.0 C4D A:HEM201 3.0 29.9 1.0 C4A A:HEM201 3.0 28.3 1.0 C1A A:HEM201 3.1 27.6 1.0 C4C A:HEM201 3.1 28.4 1.0 C4B A:HEM201 3.1 26.9 1.0 C1C A:HEM201 3.1 27.3 1.0 CE1 A:HIS63 3.2 28.7 1.0 CE1 A:HIS39 3.3 26.6 1.0 CHB A:HEM201 3.4 27.4 1.0 CHD A:HEM201 3.4 28.8 1.0 CHA A:HEM201 3.4 28.7 1.0 CHC A:HEM201 3.5 27.0 1.0 CG A:HIS63 4.2 28.7 1.0 CG A:HIS39 4.2 26.8 1.0 C2D A:HEM201 4.2 31.3 1.0 C2A A:HEM201 4.2 27.8 1.0 C3A A:HEM201 4.3 27.6 1.0 C2B A:HEM201 4.3 27.5 1.0 ND1 A:HIS63 4.3 27.8 1.0 C3D A:HEM201 4.3 32.4 1.0 ND1 A:HIS39 4.3 26.3 1.0 C2C A:HEM201 4.3 27.5 1.0 C3C A:HEM201 4.3 28.4 1.0 C3B A:HEM201 4.3 28.1 1.0 N A:GLY41 4.9 28.5 1.0

Iron binding site 2 out of 4 in the Structure of Quintuple Mutant of the Rat Outer Mitocondrial 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 Quintuple Mutant of the Rat Outer Mitocondrial Cytochrome B5. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:30.6 occ:1.00 FE B:HEM201 0.0 30.6 1.0 NB B:HEM201 1.9 31.8 1.0 ND B:HEM201 2.0 33.0 1.0 NA B:HEM201 2.0 33.5 1.0 NC B:HEM201 2.0 31.4 1.0 NE2 B:HIS39 2.1 33.8 1.0 NE2 B:HIS63 2.1 30.5 1.0 CD2 B:HIS63 2.9 30.6 1.0 C1B B:HEM201 2.9 31.9 1.0 CE1 B:HIS39 2.9 33.9 1.0 C4A B:HEM201 3.0 33.1 1.0 C1D B:HEM201 3.0 33.3 1.0 C1A B:HEM201 3.0 34.3 1.0 C4D B:HEM201 3.1 34.2 1.0 C4B B:HEM201 3.1 31.4 1.0 C4C B:HEM201 3.1 31.3 1.0 C1C B:HEM201 3.1 31.2 1.0 CD2 B:HIS39 3.1 34.5 1.0 CE1 B:HIS63 3.3 30.5 1.0 CHB B:HEM201 3.3 32.9 1.0 CHD B:HEM201 3.4 32.3 1.0 CHA B:HEM201 3.4 34.5 1.0 CHC B:HEM201 3.5 30.9 1.0 ND1 B:HIS39 4.1 34.4 1.0 CG B:HIS63 4.1 32.0 1.0 C2B B:HEM201 4.2 31.8 1.0 CG B:HIS39 4.2 34.6 1.0 C3A B:HEM201 4.2 34.3 1.0 C2A B:HEM201 4.3 35.2 1.0 C2D B:HEM201 4.3 34.4 1.0 ND1 B:HIS63 4.3 30.0 1.0 C3B B:HEM201 4.3 31.7 1.0 C3D B:HEM201 4.3 35.6 1.0 C3C B:HEM201 4.4 31.2 1.0 C2C B:HEM201 4.4 31.5 1.0 N B:GLY41 4.8 32.7 1.0 CA B:GLY41 4.9 32.0 1.0

Iron binding site 3 out of 4 in the Structure of Quintuple Mutant of the Rat Outer Mitocondrial Cytochrome B5.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Quintuple Mutant of the Rat Outer Mitocondrial Cytochrome B5. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:28.1 occ:1.00 FE C:HEM201 0.0 28.1 1.0 NB C:HEM201 2.0 27.9 1.0 ND C:HEM201 2.0 27.9 1.0 NC C:HEM201 2.0 27.0 1.0 NA C:HEM201 2.0 27.6 1.0 NE2 C:HIS39 2.1 29.6 1.0 NE2 C:HIS63 2.1 26.8 1.0 C1B C:HEM201 3.0 28.2 1.0 CD2 C:HIS63 3.0 27.4 1.0 C1D C:HEM201 3.0 28.0 1.0 C4B C:HEM201 3.0 28.5 1.0 C4A C:HEM201 3.0 28.1 1.0 C4C C:HEM201 3.0 26.6 1.0 C4D C:HEM201 3.1 28.5 1.0 CD2 C:HIS39 3.1 29.1 1.0 C1C C:HEM201 3.1 26.6 1.0 CE1 C:HIS39 3.1 29.0 1.0 C1A C:HEM201 3.1 28.4 1.0 CE1 C:HIS63 3.1 27.2 1.0 CHB C:HEM201 3.4 27.9 1.0 CHD C:HEM201 3.4 27.2 1.0 CHC C:HEM201 3.4 27.2 1.0 CHA C:HEM201 3.4 28.3 1.0 ND1 C:HIS39 4.2 30.6 1.0 CG C:HIS63 4.2 27.6 1.0 CG C:HIS39 4.2 31.1 1.0 ND1 C:HIS63 4.2 26.9 1.0 C2B C:HEM201 4.2 28.5 1.0 C3A C:HEM201 4.3 28.2 1.0 C2A C:HEM201 4.3 28.7 1.0 C2D C:HEM201 4.3 28.6 1.0 C3B C:HEM201 4.3 28.5 1.0 C2C C:HEM201 4.3 26.7 1.0 C3C C:HEM201 4.3 26.4 1.0 C3D C:HEM201 4.3 29.1 1.0 N C:GLY41 4.9 33.8 1.0

Iron binding site 4 out of 4 in the Structure of Quintuple Mutant of the Rat Outer Mitocondrial Cytochrome B5.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Quintuple Mutant of the Rat Outer Mitocondrial Cytochrome B5. within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:33.9 occ:1.00 FE D:HEM201 0.0 33.9 1.0 NB D:HEM201 2.0 33.9 1.0 NA D:HEM201 2.0 34.1 1.0 ND D:HEM201 2.0 35.4 1.0 NC D:HEM201 2.0 34.0 1.0 NE2 D:HIS39 2.1 37.6 1.0 NE2 D:HIS63 2.2 34.5 1.0 CE1 D:HIS39 3.0 39.1 1.0 CD2 D:HIS63 3.0 35.1 1.0 C1B D:HEM201 3.0 33.6 1.0 C4A D:HEM201 3.0 33.8 1.0 C1D D:HEM201 3.0 36.0 1.0 C4B D:HEM201 3.1 33.0 1.0 C4C D:HEM201 3.1 34.4 1.0 C1A D:HEM201 3.1 34.5 1.0 C4D D:HEM201 3.1 36.6 1.0 C1C D:HEM201 3.1 33.4 1.0 CD2 D:HIS39 3.2 38.8 1.0 CE1 D:HIS63 3.3 35.7 1.0 CHB D:HEM201 3.3 34.2 1.0 CHD D:HEM201 3.4 35.4 1.0 CHC D:HEM201 3.5 32.9 1.0 CHA D:HEM201 3.5 35.3 1.0 ND1 D:HIS39 4.1 38.4 1.0 CG D:HIS63 4.2 35.9 1.0 C3A D:HEM201 4.2 34.1 1.0 C2B D:HEM201 4.2 33.1 1.0 CG D:HIS39 4.2 39.2 1.0 C2A D:HEM201 4.3 34.2 1.0 ND1 D:HIS63 4.3 35.2 1.0 C2D D:HEM201 4.3 37.1 1.0 C3B D:HEM201 4.3 33.9 1.0 C3C D:HEM201 4.3 35.0 1.0 C2C D:HEM201 4.3 33.8 1.0 C3D D:HEM201 4.4 38.2 1.0 N D:GLY41 4.9 41.7 1.0

A.B.Cowley, A.Altuve, O.Kuchment, S.Terzyan, X.C.Zhang, M.Rivera, D.Benson. Toward Engineering the Stability and Hemin Binding Properties of Microsomal Cytochromes B5 Into Rat Outer Mitochondrial Cytochrome B5: Examining the Influence of Residues 25 and 71. Biochemistry V. 41 11566 2002.
ISSN: ISSN 0006-2960
PubMed: 12269800
DOI: 10.1021/BI026005L