Iron in PDB 6duj: Crystal Structure of A51V Variant of Human Cytochrome C

The structure of Crystal Structure of A51V Variant of Human Cytochrome C, PDB code: 6duj was solved by H.Lei, B.E.Bowler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.32 / 1.82
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	62.380, 184.369, 35.740, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.5

The binding sites of Iron atom in the Crystal Structure of A51V Variant of Human Cytochrome C (pdb code 6duj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of A51V Variant of Human Cytochrome C, PDB code: 6duj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of A51V Variant of Human Cytochrome C


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 A51V Variant of Human Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:19.3 occ:1.00 FE A:HEC201 0.0 19.3 1.0 NB A:HEC201 1.9 17.9 1.0 NE2 A:HIS18 2.0 20.2 1.0 ND A:HEC201 2.0 16.7 1.0 NA A:HEC201 2.1 17.7 1.0 NC A:HEC201 2.1 17.5 1.0 SD A:MET80 2.3 18.9 1.0 C4B A:HEC201 2.9 16.7 1.0 CD2 A:HIS18 2.9 23.0 1.0 C1B A:HEC201 3.0 22.8 1.0 C1D A:HEC201 3.0 16.7 1.0 CE1 A:HIS18 3.0 20.4 1.0 C4D A:HEC201 3.0 18.6 1.0 C4A A:HEC201 3.0 16.7 1.0 C1C A:HEC201 3.1 18.4 1.0 C4C A:HEC201 3.1 19.4 1.0 HD2 A:HIS18 3.1 27.6 1.0 C1A A:HEC201 3.1 16.5 1.0 HG3 A:MET80 3.2 18.9 1.0 HE1 A:HIS18 3.2 24.4 1.0 CHC A:HEC201 3.3 17.9 1.0 CE A:MET80 3.4 19.1 1.0 CG A:MET80 3.4 15.7 1.0 CHB A:HEC201 3.4 18.8 1.0 CHD A:HEC201 3.4 17.3 1.0 HE3 A:MET80 3.4 22.9 1.0 HE1 A:MET80 3.4 22.9 1.0 CHA A:HEC201 3.4 16.0 1.0 HB2 A:MET80 3.8 16.9 1.0 HH A:TYR67 4.1 26.1 1.0 CG A:HIS18 4.1 24.5 1.0 ND1 A:HIS18 4.1 21.6 1.0 HG2 A:MET80 4.1 18.9 1.0 C3B A:HEC201 4.1 22.2 1.0 C2B A:HEC201 4.2 21.1 1.0 CB A:MET80 4.2 14.1 1.0 C2D A:HEC201 4.2 19.7 1.0 HE2 A:MET80 4.2 22.9 1.0 C3D A:HEC201 4.2 19.8 1.0 C3A A:HEC201 4.3 19.6 1.0 HHC A:HEC201 4.3 21.4 1.0 C2C A:HEC201 4.3 19.8 1.0 C2A A:HEC201 4.3 18.7 1.0 C3C A:HEC201 4.3 18.4 1.0 HHB A:HEC201 4.4 22.6 1.0 HHD A:HEC201 4.4 20.8 1.0 HHA A:HEC201 4.4 19.2 1.0 HA3 A:GLY29 4.6 28.4 1.0 HD2 A:PRO30 4.6 25.8 1.0 HE2 A:TYR67 4.7 19.0 1.0 HB3 A:MET80 4.8 16.9 1.0 HB2 A:CYS17 4.9 24.4 1.0 OH A:TYR67 4.9 21.8 1.0 HD1 A:HIS18 4.9 26.0 1.0 HD21 A:LEU32 4.9 24.8 1.0 HB3 A:CYS17 5.0 24.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of A51V Variant of Human Cytochrome C


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 A51V Variant of Human Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:21.8 occ:1.00 FE C:HEC201 0.0 21.8 1.0 NB C:HEC201 2.0 19.4 1.0 NE2 C:HIS18 2.0 22.5 1.0 ND C:HEC201 2.0 19.1 1.0 NC C:HEC201 2.1 23.8 1.0 NA C:HEC201 2.1 20.1 1.0 SD C:MET80 2.3 26.1 1.0 CE1 C:HIS18 3.0 24.2 1.0 C1B C:HEC201 3.0 25.5 1.0 C1D C:HEC201 3.0 25.2 1.0 CD2 C:HIS18 3.0 20.5 1.0 C4B C:HEC201 3.0 23.5 1.0 C4C C:HEC201 3.0 27.2 1.0 C4A C:HEC201 3.0 24.1 1.0 C4D C:HEC201 3.1 22.6 1.0 C1C C:HEC201 3.1 28.2 1.0 C1A C:HEC201 3.1 20.1 1.0 HE1 C:HIS18 3.2 29.1 1.0 HD2 C:HIS18 3.2 24.6 1.0 HG3 C:MET80 3.2 32.1 1.0 CE C:MET80 3.3 22.9 1.0 CHB C:HEC201 3.3 22.9 1.0 CHD C:HEC201 3.4 27.4 1.0 CG C:MET80 3.4 26.8 1.0 HE3 C:MET80 3.4 27.5 1.0 HE1 C:MET80 3.4 27.5 1.0 CHC C:HEC201 3.5 24.0 1.0 CHA C:HEC201 3.5 21.2 1.0 HB2 C:MET80 3.8 30.9 1.0 HH C:TYR67 4.0 29.4 1.0 ND1 C:HIS18 4.1 24.6 1.0 CG C:HIS18 4.1 20.9 1.0 HG2 C:MET80 4.1 32.1 1.0 HE2 C:MET80 4.2 27.5 1.0 C2B C:HEC201 4.2 24.8 1.0 CB C:MET80 4.2 25.8 1.0 C3B C:HEC201 4.2 23.5 1.0 C2D C:HEC201 4.2 25.2 1.0 C3C C:HEC201 4.3 26.1 1.0 C3A C:HEC201 4.3 23.2 1.0 C3D C:HEC201 4.3 21.8 1.0 C2A C:HEC201 4.3 20.7 1.0 C2C C:HEC201 4.3 24.5 1.0 HHB C:HEC201 4.3 27.4 1.0 HHD C:HEC201 4.3 32.9 1.0 HHC C:HEC201 4.4 28.8 1.0 HHA C:HEC201 4.4 25.5 1.0 HD2 C:PRO30 4.5 26.9 1.0 HA3 C:GLY29 4.5 24.1 1.0 HE2 C:TYR67 4.6 35.0 1.0 OH C:TYR67 4.8 24.5 1.0 HB3 C:MET80 4.8 30.9 1.0 HD1 C:HIS18 4.8 29.6 1.0 HB2 C:CYS17 4.9 28.5 1.0 HD21 C:LEU32 4.9 30.3 1.0

H.Lei, B.E.Bowler. Manuscript in Progress To Be Published.