Iron in PDB 4hin: 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L)

The structure of 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L), PDB code: 4hin was solved by S.Lovell, K.P.Battaile, S.Parthasarathy, N.Sun, S.Terzyan, X.Zhang, M.Rivera, K.Kuczera, D.R.Benson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.35 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.530, 92.709, 48.990, 90.00, 113.11, 90.00
R / Rfree (%)	20.9 / 24.5

The structure of 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L) also contains other interesting chemical elements:

Copper

(Cu)

4 atoms

The binding sites of Iron atom in the 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L) (pdb code 4hin). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L), PDB code: 4hin:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:32.3 occ:1.00 FE A:HEM101 0.0 32.3 1.0 NB A:HEM101 1.9 32.1 1.0 NC A:HEM101 1.9 32.2 1.0 ND A:HEM101 2.0 32.5 1.0 NA A:HEM101 2.0 32.6 1.0 NE2 A:HIS39 2.2 37.3 1.0 NE2 A:HIS63 2.2 29.3 1.0 C4B A:HEM101 2.9 32.3 1.0 C1C A:HEM101 3.0 32.2 1.0 C1D A:HEM101 3.0 32.8 1.0 C4C A:HEM101 3.0 32.5 1.0 C1B A:HEM101 3.0 32.5 1.0 C4D A:HEM101 3.0 32.9 1.0 C1A A:HEM101 3.0 32.9 1.0 C4A A:HEM101 3.1 32.6 1.0 CD2 A:HIS63 3.2 29.8 1.0 CE1 A:HIS39 3.2 37.0 1.0 CD2 A:HIS39 3.2 37.8 1.0 CE1 A:HIS63 3.2 28.8 1.0 CHC A:HEM101 3.3 32.8 1.0 CHD A:HEM101 3.4 33.2 1.0 CHA A:HEM101 3.4 33.3 1.0 CHB A:HEM101 3.4 32.9 1.0 C2C A:HEM101 4.2 32.8 1.0 C3B A:HEM101 4.2 32.8 1.0 C3C A:HEM101 4.2 32.9 1.0 C2B A:HEM101 4.2 32.6 1.0 C2A A:HEM101 4.2 33.3 1.0 C3A A:HEM101 4.2 33.2 1.0 C2D A:HEM101 4.3 33.2 1.0 C3D A:HEM101 4.3 33.4 1.0 CG A:HIS63 4.3 28.8 1.0 CG A:HIS39 4.3 36.9 1.0 ND1 A:HIS39 4.3 38.3 1.0 ND1 A:HIS63 4.3 30.1 1.0 CE1 A:PHE58 4.8 32.3 1.0 CD1 A:PHE58 4.9 31.7 1.0

Iron binding site 2 out of 4 in the 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:37.2 occ:1.00 FE B:HEM101 0.0 37.2 1.0 NC B:HEM101 1.9 37.1 1.0 NB B:HEM101 2.0 37.0 1.0 NA B:HEM101 2.0 37.5 1.0 ND B:HEM101 2.0 37.4 1.0 NE2 B:HIS63 2.2 37.7 1.0 NE2 B:HIS39 2.2 51.3 1.0 C4B B:HEM101 2.9 37.2 1.0 C1D B:HEM101 3.0 37.7 1.0 C1B B:HEM101 3.0 37.3 1.0 C1C B:HEM101 3.0 37.0 1.0 C4A B:HEM101 3.0 37.5 1.0 C4D B:HEM101 3.0 37.7 1.0 C4C B:HEM101 3.0 37.4 1.0 C1A B:HEM101 3.1 37.7 1.0 CD2 B:HIS63 3.1 38.1 1.0 CE1 B:HIS63 3.2 37.5 1.0 CD2 B:HIS39 3.2 51.6 1.0 CE1 B:HIS39 3.2 51.1 1.0 CHC B:HEM101 3.3 37.7 1.0 CHB B:HEM101 3.4 37.8 1.0 CHD B:HEM101 3.4 38.1 1.0 CHA B:HEM101 3.5 38.1 1.0 C3A B:HEM101 4.2 38.1 1.0 C2C B:HEM101 4.2 37.6 1.0 C2B B:HEM101 4.2 37.4 1.0 C2A B:HEM101 4.2 38.2 1.0 C3B B:HEM101 4.2 37.6 1.0 C3C B:HEM101 4.2 37.7 1.0 C2D B:HEM101 4.3 38.1 1.0 C3D B:HEM101 4.3 38.2 1.0 CG B:HIS63 4.3 37.0 1.0 ND1 B:HIS63 4.3 38.6 1.0 CG B:HIS39 4.4 50.7 1.0 ND1 B:HIS39 4.4 52.0 1.0 CE1 B:PHE58 4.9 33.2 1.0

Iron binding site 3 out of 4 in the 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe101 b:36.1 occ:1.00 FE C:HEM101 0.0 36.1 1.0 NB C:HEM101 1.9 35.9 1.0 NA C:HEM101 1.9 36.5 1.0 ND C:HEM101 2.0 36.3 1.0 NC C:HEM101 2.0 36.0 1.0 NE2 C:HIS39 2.1 40.0 1.0 NE2 C:HIS63 2.3 37.3 1.0 C4B C:HEM101 2.9 36.1 1.0 C1B C:HEM101 2.9 36.3 1.0 C1C C:HEM101 3.0 36.0 1.0 C4A C:HEM101 3.0 36.4 1.0 C4D C:HEM101 3.0 36.6 1.0 C1D C:HEM101 3.0 36.6 1.0 C1A C:HEM101 3.0 36.6 1.0 C4C C:HEM101 3.0 36.3 1.0 CD2 C:HIS39 3.1 40.5 1.0 CE1 C:HIS39 3.1 39.8 1.0 CD2 C:HIS63 3.2 37.5 1.0 CHC C:HEM101 3.3 36.6 1.0 CHB C:HEM101 3.4 36.8 1.0 CE1 C:HIS63 3.4 37.2 1.0 CHA C:HEM101 3.4 37.0 1.0 CHD C:HEM101 3.4 37.0 1.0 C2B C:HEM101 4.2 36.4 1.0 C3B C:HEM101 4.2 36.6 1.0 CG C:HIS39 4.2 40.0 1.0 C3A C:HEM101 4.2 37.0 1.0 C2C C:HEM101 4.2 36.6 1.0 C2A C:HEM101 4.2 37.1 1.0 ND1 C:HIS39 4.2 41.0 1.0 C3C C:HEM101 4.3 36.6 1.0 C3D C:HEM101 4.3 37.1 1.0 C2D C:HEM101 4.3 37.0 1.0 CG C:HIS63 4.4 36.9 1.0 ND1 C:HIS63 4.5 38.2 1.0 N C:GLY41 4.9 44.0 1.0 CE1 C:PHE58 4.9 32.5 1.0

Iron binding site 4 out of 4 in the 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe101 b:29.6 occ:1.00 FE D:HEM101 0.0 29.6 1.0 ND D:HEM101 1.9 29.7 1.0 NB D:HEM101 1.9 29.3 1.0 NC D:HEM101 2.0 29.5 1.0 NA D:HEM101 2.0 29.9 1.0 NE2 D:HIS63 2.2 26.1 1.0 NE2 D:HIS39 2.2 31.2 1.0 C4B D:HEM101 2.9 29.6 1.0 C4D D:HEM101 2.9 30.1 1.0 C1C D:HEM101 3.0 29.4 1.0 C1D D:HEM101 3.0 30.0 1.0 C1B D:HEM101 3.0 29.7 1.0 C1A D:HEM101 3.0 30.1 1.0 C4C D:HEM101 3.0 29.7 1.0 C4A D:HEM101 3.1 29.8 1.0 CD2 D:HIS63 3.1 26.8 1.0 CE1 D:HIS63 3.2 26.0 1.0 CD2 D:HIS39 3.2 31.6 1.0 CE1 D:HIS39 3.2 30.8 1.0 CHC D:HEM101 3.3 30.1 1.0 CHA D:HEM101 3.3 30.5 1.0 CHD D:HEM101 3.4 30.4 1.0 CHB D:HEM101 3.5 30.2 1.0 C2C D:HEM101 4.2 30.0 1.0 C3D D:HEM101 4.2 30.5 1.0 C2B D:HEM101 4.2 29.8 1.0 C3B D:HEM101 4.2 30.1 1.0 C2D D:HEM101 4.2 30.4 1.0 C2A D:HEM101 4.2 30.5 1.0 C3C D:HEM101 4.2 30.1 1.0 CG D:HIS63 4.3 26.5 1.0 C3A D:HEM101 4.3 30.4 1.0 ND1 D:HIS63 4.3 27.7 1.0 CG D:HIS39 4.4 31.0 1.0 ND1 D:HIS39 4.4 31.9 1.0 CE1 D:PHE58 4.9 32.8 1.0 CD1 D:PHE58 5.0 32.1 1.0

S.Parthasarathy, N.Sun, S.Lovell, K.P.Battaile, S.Terzyan, X.Zhang, M.Rivera, K.Kuczera, D.R.Benson. 2.4A Resolution Structure of Bovine Cytochrome B5 (S71L) To Be Published.