Iron in PDB 6xnk: Crystal Structure of Dimeric K72A Human Cytochrome C Alkaline Conformer

The structure of Crystal Structure of Dimeric K72A Human Cytochrome C Alkaline Conformer, PDB code: 6xnk 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)	42.11 / 2.08
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	35.66, 49.595, 61.556, 77.97, 79.02, 90.19
R / Rfree (%)	17.6 / 23.4

The binding sites of Iron atom in the Crystal Structure of Dimeric K72A Human Cytochrome C Alkaline Conformer (pdb code 6xnk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Dimeric K72A Human Cytochrome C Alkaline Conformer, PDB code: 6xnk:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Dimeric K72A Human Cytochrome C Alkaline Conformer


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 Dimeric K72A Human Cytochrome C Alkaline Conformer within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:23.3 occ:1.00 FE A:HEC201 0.0 23.3 1.0 HZ2 A:LYS79 1.3 29.5 1.0 NE2 A:HIS18 1.9 24.0 1.0 NZ A:LYS79 2.0 24.5 1.0 HZ1 A:LYS79 2.0 29.5 1.0 NC A:HEC201 2.0 27.7 1.0 NB A:HEC201 2.0 29.6 1.0 NA A:HEC201 2.0 25.6 1.0 ND A:HEC201 2.1 29.5 1.0 HZ3 A:LYS79 2.6 29.5 1.0 CE1 A:HIS18 2.8 28.4 1.0 CD2 A:HIS18 2.9 28.5 1.0 C4C A:HEC201 3.0 27.1 1.0 HE3 A:LYS79 3.0 28.6 1.0 C4A A:HEC201 3.0 25.4 1.0 C1B A:HEC201 3.0 27.0 1.0 CE A:LYS79 3.0 23.8 1.0 HE1 A:HIS18 3.0 34.2 1.0 C4B A:HEC201 3.1 25.5 1.0 C1C A:HEC201 3.1 26.8 1.0 C1D A:HEC201 3.1 34.8 1.0 HD2 A:HIS18 3.1 34.3 1.0 C1A A:HEC201 3.1 31.4 1.0 C4D A:HEC201 3.1 33.8 1.0 CHD A:HEC201 3.4 28.6 1.0 CHB A:HEC201 3.4 21.7 1.0 CHC A:HEC201 3.4 28.4 1.0 HD2 A:LYS79 3.5 36.4 1.0 CHA A:HEC201 3.5 27.2 1.0 HE2 A:LYS79 3.8 28.6 1.0 CD A:LYS79 3.8 30.3 1.0 HH A:TYR67 3.9 42.9 1.0 ND1 A:HIS18 4.0 25.4 1.0 CG A:HIS18 4.0 26.0 1.0 C3C A:HEC201 4.2 26.1 1.0 C2B A:HEC201 4.2 26.7 1.0 C3A A:HEC201 4.2 25.9 1.0 C2C A:HEC201 4.3 29.9 1.0 C3B A:HEC201 4.3 31.4 1.0 C2A A:HEC201 4.3 24.3 1.0 HHD A:HEC201 4.3 34.3 1.0 C2D A:HEC201 4.3 32.5 1.0 HHB A:HEC201 4.3 26.0 1.0 C3D A:HEC201 4.4 37.0 1.0 HHC A:HEC201 4.4 34.1 1.0 HD3 A:LYS79 4.4 36.4 1.0 HHA A:HEC201 4.5 32.7 1.0 HA3 A:GLY29 4.6 27.5 1.0 HD2 A:PRO30 4.6 35.5 1.0 HE2 A:TYR67 4.7 31.4 1.0 HB2 A:CYS17 4.7 36.6 1.0 OH A:TYR67 4.7 35.8 1.0 HG3 A:LYS79 4.7 38.1 1.0 HD1 A:HIS18 4.7 30.5 1.0 CG A:LYS79 4.9 31.7 1.0 HD11 A:LEU32 5.0 30.9 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Dimeric K72A Human Cytochrome C Alkaline Conformer


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 Dimeric K72A Human Cytochrome C Alkaline Conformer within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:23.8 occ:1.00 FE C:HEC201 0.0 23.8 1.0 HZ2 C:LYS79 1.3 30.1 1.0 HZ1 C:LYS79 1.9 30.1 1.0 NZ C:LYS79 1.9 25.0 1.0 NC C:HEC201 2.0 24.7 1.0 NE2 C:HIS18 2.0 23.7 1.0 NA C:HEC201 2.0 25.0 1.0 NB C:HEC201 2.0 23.9 1.0 ND C:HEC201 2.1 23.3 1.0 HZ3 C:LYS79 2.5 30.1 1.0 CE1 C:HIS18 2.9 21.6 1.0 HE3 C:LYS79 3.0 37.1 1.0 CE C:LYS79 3.0 30.9 1.0 C1C C:HEC201 3.0 23.5 1.0 C4C C:HEC201 3.0 23.9 1.0 C4B C:HEC201 3.0 23.7 1.0 C1A C:HEC201 3.0 28.3 1.0 C1D C:HEC201 3.0 27.1 1.0 CD2 C:HIS18 3.0 23.7 1.0 C1B C:HEC201 3.1 23.3 1.0 C4A C:HEC201 3.1 23.8 1.0 C4D C:HEC201 3.1 27.2 1.0 HE1 C:HIS18 3.1 26.0 1.0 HD2 C:HIS18 3.3 28.4 1.0 CHD C:HEC201 3.4 22.4 1.0 CHC C:HEC201 3.4 21.3 1.0 CHA C:HEC201 3.4 22.9 1.0 CHB C:HEC201 3.4 24.1 1.0 HH C:TYR67 3.5 54.9 1.0 HD2 C:LYS79 3.5 34.2 1.0 HE2 C:LYS79 3.7 37.1 1.0 CD C:LYS79 3.9 28.5 1.0 ND1 C:HIS18 4.1 22.4 1.0 CG C:HIS18 4.2 22.0 1.0 C2C C:HEC201 4.2 27.7 1.0 C3C C:HEC201 4.2 24.1 1.0 C3B C:HEC201 4.2 24.4 1.0 C2A C:HEC201 4.3 28.4 1.0 C2B C:HEC201 4.3 23.2 1.0 OH C:TYR67 4.3 45.7 1.0 C3A C:HEC201 4.3 20.3 1.0 C2D C:HEC201 4.3 25.9 1.0 C3D C:HEC201 4.3 26.7 1.0 HHD C:HEC201 4.3 26.9 1.0 HHC C:HEC201 4.3 25.6 1.0 HHA C:HEC201 4.4 27.6 1.0 HHB C:HEC201 4.4 28.9 1.0 HD3 C:LYS79 4.5 34.2 1.0 HE2 C:TYR67 4.5 49.5 1.0 HA3 C:GLY29 4.6 35.8 1.0 HD2 C:PRO30 4.6 22.8 1.0 HG3 C:LYS79 4.7 39.1 1.0 HB2 C:CYS17 4.7 39.3 1.0 HD1 C:HIS18 4.8 26.9 1.0 CG C:LYS79 4.9 32.6 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Dimeric K72A Human Cytochrome C Alkaline Conformer


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Dimeric K72A Human Cytochrome C Alkaline Conformer within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe201 b:25.9 occ:1.00 FE E:HEC201 0.0 25.9 1.0 HZ2 E:LYS79 1.4 33.1 1.0 NE2 E:HIS18 1.9 26.3 1.0 ND E:HEC201 2.0 30.8 1.0 NB E:HEC201 2.0 29.1 1.0 NZ E:LYS79 2.1 27.6 1.0 HZ1 E:LYS79 2.1 33.1 1.0 NA E:HEC201 2.1 22.5 1.0 NC E:HEC201 2.1 28.4 1.0 HZ3 E:LYS79 2.7 33.1 1.0 CE1 E:HIS18 2.9 29.1 1.0 HE3 E:LYS79 2.9 36.6 1.0 CD2 E:HIS18 2.9 26.5 1.0 C1D E:HEC201 3.0 30.0 1.0 CE E:LYS79 3.0 30.5 1.0 C1B E:HEC201 3.0 29.5 1.0 C4C E:HEC201 3.0 24.2 1.0 C4A E:HEC201 3.0 33.0 1.0 C4D E:HEC201 3.1 29.9 1.0 C4B E:HEC201 3.1 27.3 1.0 HE1 E:HIS18 3.1 34.9 1.0 C1C E:HEC201 3.1 31.1 1.0 C1A E:HEC201 3.1 28.3 1.0 HD2 E:HIS18 3.1 31.8 1.0 CHD E:HEC201 3.3 28.4 1.0 CHB E:HEC201 3.4 25.9 1.0 HD2 E:LYS79 3.5 36.2 1.0 CHA E:HEC201 3.5 30.3 1.0 CHC E:HEC201 3.5 26.9 1.0 HE2 E:LYS79 3.8 36.6 1.0 HH E:TYR67 3.8 42.6 1.0 CD E:LYS79 3.9 30.2 1.0 ND1 E:HIS18 4.0 25.1 1.0 CG E:HIS18 4.1 21.9 1.0 C2D E:HEC201 4.2 28.8 1.0 C2B E:HEC201 4.3 28.1 1.0 C3D E:HEC201 4.3 32.1 1.0 C3C E:HEC201 4.3 29.3 1.0 C3B E:HEC201 4.3 28.5 1.0 C3A E:HEC201 4.3 24.7 1.0 HHD E:HEC201 4.3 34.1 1.0 C2C E:HEC201 4.3 33.1 1.0 C2A E:HEC201 4.3 28.7 1.0 HHB E:HEC201 4.4 31.2 1.0 HHA E:HEC201 4.5 36.4 1.0 HHC E:HEC201 4.5 32.3 1.0 HD3 E:LYS79 4.5 36.2 1.0 HA3 E:GLY29 4.5 37.1 1.0 HE2 E:TYR67 4.6 44.4 1.0 HD2 E:PRO30 4.6 38.2 1.0 OH E:TYR67 4.6 35.5 1.0 HG3 E:LYS79 4.6 37.5 1.0 HB2 E:CYS17 4.8 39.1 1.0 HD1 E:HIS18 4.8 30.2 1.0 CG E:LYS79 4.9 31.2 1.0 HD21 E:LEU32 5.0 32.4 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Dimeric K72A Human Cytochrome C Alkaline Conformer


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Dimeric K72A Human Cytochrome C Alkaline Conformer within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe201 b:25.4 occ:1.00 FE G:HEC201 0.0 25.4 1.0 HZ2 G:LYS79 1.3 29.5 1.0 NZ G:LYS79 1.9 24.6 1.0 HZ1 G:LYS79 2.0 29.5 1.0 NE2 G:HIS18 2.0 24.1 1.0 NC G:HEC201 2.0 29.5 1.0 NB G:HEC201 2.1 25.2 1.0 ND G:HEC201 2.1 30.1 1.0 NA G:HEC201 2.1 27.5 1.0 HZ3 G:LYS79 2.5 29.5 1.0 CD2 G:HIS18 2.9 21.3 1.0 CE1 G:HIS18 3.0 24.5 1.0 C4C G:HEC201 3.0 24.8 1.0 C1D G:HEC201 3.0 27.0 1.0 C1B G:HEC201 3.1 22.0 1.0 C4A G:HEC201 3.1 27.2 1.0 C1C G:HEC201 3.1 29.1 1.0 HE3 G:LYS79 3.1 34.8 1.0 HD2 G:HIS18 3.1 25.6 1.0 C1A G:HEC201 3.1 30.4 1.0 CE G:LYS79 3.1 29.0 1.0 C4D G:HEC201 3.1 32.0 1.0 C4B G:HEC201 3.1 25.0 1.0 HE1 G:HIS18 3.2 29.4 1.0 CHD G:HEC201 3.4 29.4 1.0 CHB G:HEC201 3.4 23.9 1.0 CHA G:HEC201 3.5 31.9 1.0 CHC G:HEC201 3.5 22.8 1.0 HD2 G:LYS79 3.5 41.2 1.0 HE2 G:LYS79 3.8 34.8 1.0 CD G:LYS79 3.9 34.3 1.0 CG G:HIS18 4.1 23.4 1.0 ND1 G:HIS18 4.1 22.3 1.0 OH G:TYR67 4.2 43.1 1.0 C3C G:HEC201 4.3 35.8 1.0 C3A G:HEC201 4.3 26.6 1.0 C2A G:HEC201 4.3 23.0 1.0 C2D G:HEC201 4.3 33.7 1.0 C2B G:HEC201 4.3 27.9 1.0 C2C G:HEC201 4.3 33.2 1.0 C3B G:HEC201 4.3 30.7 1.0 C3D G:HEC201 4.3 42.0 1.0 HHD G:HEC201 4.3 35.3 1.0 HHB G:HEC201 4.4 28.7 1.0 HHA G:HEC201 4.4 38.3 1.0 HHC G:HEC201 4.5 27.4 1.0 HE2 G:TYR67 4.5 55.5 1.0 HD3 G:LYS79 4.5 41.2 1.0 HA3 G:GLY29 4.6 33.1 1.0 HB2 G:CYS17 4.6 35.9 1.0 HH G:TYR67 4.7 51.8 1.0 HD2 G:PRO30 4.7 36.6 1.0 HG3 G:LYS79 4.7 45.8 1.0 HD21 G:LEU32 4.8 27.8 1.0 HD1 G:HIS18 4.9 26.8 1.0 CG G:LYS79 5.0 38.2 1.0

H.Lei, B.E.Bowler. Crystal Structure of Dimeric K72A Human Cytochrome C Alkaline Conformer To Be Published.