Iron in PDB 2pcb: Crystal Structure of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase and Cytochrome C

The structure of Crystal Structure of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase and Cytochrome C, PDB code: 2pcb was solved by H.Pelletier, J.Kraut, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.300, 105.300, 186.200, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / n/a

The binding sites of Iron atom in the Crystal Structure of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase and Cytochrome C (pdb code 2pcb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase and Cytochrome C, PDB code: 2pcb:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase and 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 A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase and Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe295 b:26.9 occ:1.00 FE A:HEM295 0.0 26.9 1.0 NE2 A:HIS175 1.9 4.9 1.0 NA A:HEM295 2.0 27.6 1.0 NB A:HEM295 2.0 31.7 1.0 ND A:HEM295 2.0 26.3 1.0 NC A:HEM295 2.0 26.8 1.0 CE1 A:HIS175 2.8 10.3 1.0 C1A A:HEM295 3.0 28.4 1.0 C4A A:HEM295 3.0 28.4 1.0 C1B A:HEM295 3.0 33.6 1.0 C4D A:HEM295 3.0 26.8 1.0 C4B A:HEM295 3.0 31.9 1.0 C1D A:HEM295 3.1 24.2 1.0 C1C A:HEM295 3.1 26.6 1.0 C4C A:HEM295 3.1 25.8 1.0 CD2 A:HIS175 3.1 13.1 1.0 O A:HOH397 3.2 43.7 1.0 CHB A:HEM295 3.4 31.0 1.0 CHA A:HEM295 3.4 26.9 1.0 CHC A:HEM295 3.5 29.5 1.0 CHD A:HEM295 3.5 26.6 1.0 ND1 A:HIS175 4.0 6.9 1.0 CG A:HIS175 4.2 9.6 1.0 NE1 A:TRP51 4.2 29.9 1.0 C3D A:HEM295 4.2 24.6 1.0 C2B A:HEM295 4.2 35.0 1.0 C3B A:HEM295 4.2 34.6 1.0 C2A A:HEM295 4.3 27.6 1.0 C3A A:HEM295 4.3 26.1 1.0 C2D A:HEM295 4.3 21.6 1.0 C2C A:HEM295 4.3 25.5 1.0 C3C A:HEM295 4.3 23.2 1.0 CH2 A:TRP191 4.9 10.8 1.0 CD1 A:TRP51 5.0 28.7 1.0

Iron binding site 2 out of 3 in the Crystal Structure of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase and 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 A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase and Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe105 b:47.8 occ:1.00 FE B:HEM105 0.0 47.8 1.0 ND B:HEM105 2.0 45.7 1.0 NA B:HEM105 2.0 47.5 1.0 NC B:HEM105 2.0 46.9 1.0 NB B:HEM105 2.0 44.7 1.0 NE2 B:HIS18 2.1 57.1 1.0 SD B:MET80 2.3 46.5 1.0 CE1 B:HIS18 2.8 57.6 1.0 C1D B:HEM105 3.0 47.4 1.0 C4A B:HEM105 3.0 47.7 1.0 C4D B:HEM105 3.0 46.1 1.0 C4C B:HEM105 3.0 47.5 1.0 C1A B:HEM105 3.0 48.3 1.0 C4B B:HEM105 3.0 44.1 1.0 C1C B:HEM105 3.0 45.6 1.0 C1B B:HEM105 3.1 44.2 1.0 CHD B:HEM105 3.3 47.9 1.0 CD2 B:HIS18 3.3 57.5 1.0 CHA B:HEM105 3.4 46.4 1.0 CHB B:HEM105 3.4 45.7 1.0 CHC B:HEM105 3.5 43.6 1.0 CG B:MET80 3.5 45.3 1.0 CE B:MET80 3.6 38.1 1.0 CB B:MET80 4.0 53.0 1.0 ND1 B:HIS18 4.1 57.7 1.0 C3D B:HEM105 4.2 47.7 1.0 C2D B:HEM105 4.2 48.5 1.0 C2A B:HEM105 4.2 49.8 1.0 C3A B:HEM105 4.2 47.8 1.0 C3C B:HEM105 4.3 47.8 1.0 C2C B:HEM105 4.3 46.9 1.0 C3B B:HEM105 4.3 44.6 1.0 C2B B:HEM105 4.3 43.8 1.0 CG B:HIS18 4.4 56.7 1.0

Iron binding site 3 out of 3 in the Crystal Structure of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase and Cytochrome C


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 A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase and Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe295 b:22.6 occ:1.00 FE C:HEM295 0.0 22.6 1.0 NB C:HEM295 2.0 23.0 1.0 NA C:HEM295 2.0 20.6 1.0 NC C:HEM295 2.0 23.2 1.0 ND C:HEM295 2.1 26.4 1.0 NE2 C:HIS175 2.1 14.5 1.0 O C:HOH616 2.5 47.7 1.0 C1B C:HEM295 3.0 24.1 1.0 C4B C:HEM295 3.0 23.7 1.0 C4A C:HEM295 3.0 20.6 1.0 C1D C:HEM295 3.0 28.5 1.0 C1A C:HEM295 3.0 19.8 1.0 CD2 C:HIS175 3.1 18.9 1.0 C4D C:HEM295 3.1 26.6 1.0 C1C C:HEM295 3.1 23.9 1.0 C4C C:HEM295 3.1 23.4 1.0 CE1 C:HIS175 3.2 22.4 1.0 CHB C:HEM295 3.4 21.7 1.0 CHC C:HEM295 3.4 24.0 1.0 CHA C:HEM295 3.5 21.8 1.0 CHD C:HEM295 3.5 26.5 1.0 C3D C:HEM295 4.2 27.0 1.0 C2D C:HEM295 4.2 26.3 1.0 C3B C:HEM295 4.2 22.4 1.0 C2B C:HEM295 4.2 23.2 1.0 C3A C:HEM295 4.2 23.2 1.0 NE1 C:TRP51 4.2 22.5 1.0 CG C:HIS175 4.3 19.1 1.0 C2A C:HEM295 4.3 22.9 1.0 C2C C:HEM295 4.3 26.1 1.0 C3C C:HEM295 4.3 24.9 1.0 ND1 C:HIS175 4.3 17.4 1.0 CD1 C:TRP51 4.7 23.1 1.0 CZ2 C:TRP191 4.9 17.8 1.0 CH2 C:TRP191 5.0 20.1 1.0

H.Pelletier, J.Kraut. Crystal Structure of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase and Cytochrome C. Science V. 258 1748 1992.
ISSN: ISSN 0036-8075
PubMed: 1334573