Iron in PDB 1dw1: Structure of the Cyanide Complex of Shp, An Oxygen Binding Cytochrome C

The structure of Structure of the Cyanide Complex of Shp, An Oxygen Binding Cytochrome C, PDB code: 1dw1 was solved by D.Leys, K.Backers, T.E.Meyer, W.R.Hagen, M.A.Cusanovich, J.J.Vanbeeumen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.345, 103.498, 113.660, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 19.8

The binding sites of Iron atom in the Structure of the Cyanide Complex of Shp, An Oxygen Binding Cytochrome C (pdb code 1dw1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Structure of the Cyanide Complex of Shp, An Oxygen Binding Cytochrome C, PDB code: 1dw1:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Structure of the Cyanide Complex of Shp, An Oxygen Binding Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Cyanide Complex of Shp, An Oxygen Binding Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe113 b:18.1 occ:1.00 FE A:HEM113 0.0 18.1 1.0 ND A:HEM113 2.0 17.9 1.0 NA A:HEM113 2.0 18.0 1.0 NC A:HEM113 2.0 18.6 1.0 NB A:HEM113 2.0 18.1 1.0 C A:CYN114 2.0 23.8 1.0 NE2 A:HIS47 2.1 15.8 1.0 N A:CYN114 2.9 19.3 1.0 C4A A:HEM113 3.0 18.0 1.0 C4B A:HEM113 3.0 17.7 1.0 C1A A:HEM113 3.0 19.5 1.0 C1C A:HEM113 3.0 18.6 1.0 C1D A:HEM113 3.0 18.6 1.0 C4D A:HEM113 3.0 19.0 1.0 C4C A:HEM113 3.0 18.8 1.0 C1B A:HEM113 3.0 18.1 1.0 CE1 A:HIS47 3.1 16.3 1.0 CD2 A:HIS47 3.1 15.2 1.0 CHC A:HEM113 3.4 15.7 1.0 CHA A:HEM113 3.4 18.9 1.0 CHB A:HEM113 3.4 19.0 1.0 CHD A:HEM113 3.4 18.6 1.0 ND1 A:HIS47 4.2 17.5 1.0 C2A A:HEM113 4.2 18.3 1.0 C3A A:HEM113 4.2 19.0 1.0 CG A:HIS47 4.2 17.7 1.0 C3C A:HEM113 4.2 19.0 1.0 C3B A:HEM113 4.2 17.8 1.0 C3D A:HEM113 4.2 21.2 1.0 C2D A:HEM113 4.3 20.1 1.0 C2C A:HEM113 4.3 18.6 1.0 C2B A:HEM113 4.3 18.0 1.0 ND2 A:ASN88 4.3 22.0 1.0 CB A:ASN88 4.9 20.7 1.0 CG A:ASN88 5.0 23.2 1.0

Iron binding site 2 out of 3 in the Structure of the Cyanide Complex of Shp, An Oxygen Binding Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Cyanide Complex of Shp, An Oxygen Binding Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe113 b:19.7 occ:1.00 FE B:HEM113 0.0 19.7 1.0 NB B:HEM113 2.0 18.4 1.0 ND B:HEM113 2.0 21.1 1.0 NC B:HEM113 2.0 19.0 1.0 NA B:HEM113 2.0 19.3 1.0 NE2 B:HIS47 2.1 15.8 1.0 C B:CYN114 2.1 23.0 1.0 N B:CYN114 2.8 31.6 1.0 C4D B:HEM113 3.0 22.6 1.0 C4B B:HEM113 3.0 16.5 1.0 C1B B:HEM113 3.0 17.7 1.0 C1A B:HEM113 3.0 20.3 1.0 C1D B:HEM113 3.0 22.5 1.0 C4A B:HEM113 3.0 19.9 1.0 C4C B:HEM113 3.0 18.3 1.0 C1C B:HEM113 3.0 18.8 1.0 CD2 B:HIS47 3.1 16.9 1.0 CE1 B:HIS47 3.1 16.3 1.0 CHA B:HEM113 3.4 20.7 1.0 CHD B:HEM113 3.4 20.0 1.0 CHC B:HEM113 3.4 18.0 1.0 CHB B:HEM113 3.4 18.6 1.0 ND1 B:HIS47 4.2 16.1 1.0 CG B:HIS47 4.2 17.2 1.0 C3B B:HEM113 4.2 17.1 1.0 C3D B:HEM113 4.2 24.4 1.0 C2B B:HEM113 4.2 17.6 1.0 C2A B:HEM113 4.2 20.9 1.0 C2D B:HEM113 4.2 23.4 1.0 C3C B:HEM113 4.2 18.4 1.0 C3A B:HEM113 4.3 19.8 1.0 C2C B:HEM113 4.3 18.0 1.0 ND2 B:ASN88 4.4 27.3 1.0 CB B:ASN88 4.9 25.9 1.0

Iron binding site 3 out of 3 in the Structure of the Cyanide Complex of Shp, An Oxygen Binding Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Cyanide Complex of Shp, An Oxygen Binding Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe113 b:20.2 occ:1.00 FE C:HEM113 0.0 20.2 1.0 C C:CYN114 2.0 23.2 1.0 NB C:HEM113 2.0 18.3 1.0 NC C:HEM113 2.0 18.8 1.0 ND C:HEM113 2.0 21.6 1.0 NA C:HEM113 2.0 19.9 1.0 NE2 C:HIS47 2.1 19.7 1.0 N C:CYN114 2.9 25.9 1.0 C4B C:HEM113 3.0 18.3 1.0 C4A C:HEM113 3.0 19.1 1.0 C1C C:HEM113 3.0 18.4 1.0 C1A C:HEM113 3.0 19.7 1.0 C1B C:HEM113 3.0 18.7 1.0 CE1 C:HIS47 3.0 17.4 1.0 C1D C:HEM113 3.0 22.8 1.0 C4D C:HEM113 3.0 23.6 1.0 C4C C:HEM113 3.1 20.3 1.0 CD2 C:HIS47 3.1 17.5 1.0 CHB C:HEM113 3.4 19.4 1.0 CHD C:HEM113 3.4 22.1 1.0 CHA C:HEM113 3.4 22.7 1.0 CHC C:HEM113 3.4 18.1 1.0 ND1 C:HIS47 4.2 18.2 1.0 C3B C:HEM113 4.2 17.8 1.0 C3A C:HEM113 4.2 19.0 1.0 C2A C:HEM113 4.2 19.6 1.0 C3C C:HEM113 4.2 19.6 1.0 C2B C:HEM113 4.2 17.4 1.0 CG C:HIS47 4.2 18.5 1.0 C3D C:HEM113 4.3 25.1 1.0 C2C C:HEM113 4.3 18.1 1.0 C2D C:HEM113 4.3 23.5 1.0 ND2 C:ASN88 4.4 26.5 1.0 CB C:ASN88 4.9 24.7 1.0

D.Leys, K.Backers, T.E.Meyer, W.R.Hagen, M.A.Cusanovich, J.J.Van Beeumen. Crystal Structures of An Oxygen-Binding Cytochrome C From Rhodobacter Sphaeroides. J.Biol.Chem. V. 275 16050 2000.
ISSN: ISSN 0021-9258
PubMed: 10821858
DOI: 10.1074/JBC.275.21.16050