Iron in PDB 1dw3: Structure of A Reduced Oxygen Binding Cytochrome C

The structure of Structure of A Reduced Oxygen Binding Cytochrome C, PDB code: 1dw3 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 / 2.10
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 A Reduced Oxygen Binding Cytochrome C (pdb code 1dw3). 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 A Reduced Oxygen Binding Cytochrome C, PDB code: 1dw3:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Structure of A Reduced 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 A Reduced Oxygen Binding Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe113 b:26.9 occ:1.00 FE A:HEM113 0.0 26.9 1.0 NE2 A:HIS47 1.9 29.4 1.0 ND A:HEM113 2.0 28.4 1.0 NA A:HEM113 2.0 27.2 1.0 NB A:HEM113 2.0 26.0 1.0 NC A:HEM113 2.1 27.0 1.0 CE1 A:HIS47 2.9 30.4 1.0 CD2 A:HIS47 3.0 25.8 1.0 C4D A:HEM113 3.0 27.9 1.0 C1A A:HEM113 3.0 25.3 1.0 C1D A:HEM113 3.0 28.2 1.0 C4A A:HEM113 3.0 27.7 1.0 C1B A:HEM113 3.1 26.1 1.0 C4B A:HEM113 3.1 27.6 1.0 C1C A:HEM113 3.1 27.6 1.0 C4C A:HEM113 3.1 25.7 1.0 ND2 A:ASN88 3.3 32.8 1.0 CHA A:HEM113 3.4 24.8 1.0 CHD A:HEM113 3.4 27.8 1.0 CHB A:HEM113 3.4 25.8 1.0 CHC A:HEM113 3.4 27.9 1.0 CG A:ASN88 3.9 31.7 1.0 ND1 A:HIS47 4.0 24.6 1.0 CG A:HIS47 4.1 24.9 1.0 C3D A:HEM113 4.2 29.3 1.0 C2A A:HEM113 4.2 26.2 1.0 C2D A:HEM113 4.2 27.4 1.0 CB A:ASN88 4.2 29.4 1.0 C3A A:HEM113 4.3 26.8 1.0 C3B A:HEM113 4.3 27.1 1.0 C2B A:HEM113 4.3 25.9 1.0 C3C A:HEM113 4.3 28.3 1.0 C2C A:HEM113 4.3 28.8 1.0 OD1 A:ASN88 4.7 28.8 1.0 CD1 A:LEU66 5.0 29.6 1.0

Iron binding site 2 out of 3 in the Structure of A Reduced 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 A Reduced Oxygen Binding Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe113 b:29.9 occ:1.00 FE B:HEM113 0.0 29.9 1.0 NE2 B:HIS47 1.9 28.8 1.0 ND B:HEM113 2.0 29.4 1.0 NB B:HEM113 2.0 27.6 1.0 NC B:HEM113 2.0 28.6 1.0 NA B:HEM113 2.1 29.3 1.0 CD2 B:HIS47 3.0 26.1 1.0 CE1 B:HIS47 3.0 29.7 1.0 C1D B:HEM113 3.0 31.9 1.0 C4D B:HEM113 3.0 32.3 1.0 C1C B:HEM113 3.0 28.1 1.0 ND2 B:ASN88 3.0 30.8 1.0 C4B B:HEM113 3.0 27.9 1.0 C4C B:HEM113 3.1 28.7 1.0 C1B B:HEM113 3.1 27.1 1.0 C4A B:HEM113 3.1 26.9 1.0 C1A B:HEM113 3.1 29.3 1.0 CHC B:HEM113 3.4 28.2 1.0 CHA B:HEM113 3.4 31.2 1.0 CHD B:HEM113 3.4 29.2 1.0 CHB B:HEM113 3.4 27.2 1.0 CG B:ASN88 3.7 33.5 1.0 ND1 B:HIS47 4.1 24.6 1.0 CG B:HIS47 4.1 25.6 1.0 CB B:ASN88 4.2 32.6 1.0 C3D B:HEM113 4.2 34.8 1.0 C2D B:HEM113 4.3 33.1 1.0 C2C B:HEM113 4.3 28.3 1.0 C3B B:HEM113 4.3 27.0 1.0 C3C B:HEM113 4.3 28.7 1.0 C2B B:HEM113 4.3 27.6 1.0 C3A B:HEM113 4.3 28.7 1.0 C2A B:HEM113 4.3 31.0 1.0 OD1 B:ASN88 4.5 32.5 1.0

Iron binding site 3 out of 3 in the Structure of A Reduced 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 A Reduced Oxygen Binding Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe113 b:29.2 occ:1.00 FE C:HEM113 0.0 29.2 1.0 NE2 C:HIS47 1.9 30.0 1.0 ND C:HEM113 2.0 33.4 1.0 NC C:HEM113 2.0 31.2 1.0 NB C:HEM113 2.0 27.9 1.0 NA C:HEM113 2.1 29.0 1.0 CE1 C:HIS47 2.9 30.6 1.0 CD2 C:HIS47 3.0 27.3 1.0 C1D C:HEM113 3.0 35.1 1.0 C4C C:HEM113 3.0 30.1 1.0 C4D C:HEM113 3.0 34.0 1.0 C4B C:HEM113 3.1 28.9 1.0 C1A C:HEM113 3.1 28.5 1.0 C1C C:HEM113 3.1 30.8 1.0 C1B C:HEM113 3.1 27.7 1.0 C4A C:HEM113 3.1 29.0 1.0 ND2 C:ASN88 3.1 41.6 1.0 CHD C:HEM113 3.4 33.3 1.0 CHB C:HEM113 3.4 29.1 1.0 CHA C:HEM113 3.5 29.9 1.0 CHC C:HEM113 3.5 28.9 1.0 CG C:ASN88 3.8 39.1 1.0 ND1 C:HIS47 4.1 26.2 1.0 CG C:HIS47 4.1 25.9 1.0 CB C:ASN88 4.2 36.5 1.0 C2D C:HEM113 4.2 36.1 1.0 C3D C:HEM113 4.2 36.7 1.0 C3C C:HEM113 4.3 29.6 1.0 C3B C:HEM113 4.3 28.4 1.0 C2C C:HEM113 4.3 29.4 1.0 C2A C:HEM113 4.3 29.6 1.0 C2B C:HEM113 4.3 28.4 1.0 C3A C:HEM113 4.3 29.1 1.0 OD1 C:ASN88 4.8 35.4 1.0 CD1 C:LEU66 5.0 34.1 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