Iron in PDB 1ayf: Bovine Adrenodoxin (Oxidized)

The structure of Bovine Adrenodoxin (Oxidized), PDB code: 1ayf was solved by A.Mueller, J.J.Mueller, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	11.00 / 1.85
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	44.180, 78.340, 60.600, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 25.3

The binding sites of Iron atom in the Bovine Adrenodoxin (Oxidized) (pdb code 1ayf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Bovine Adrenodoxin (Oxidized), PDB code: 1ayf:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Bovine Adrenodoxin (Oxidized)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Bovine Adrenodoxin (Oxidized) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe109 b:17.8 occ:1.00 FE1 A:FES109 0.0 17.8 1.0 S1 A:FES109 2.2 19.9 1.0 S2 A:FES109 2.2 17.8 1.0 SG A:CYS52 2.3 16.2 1.0 SG A:CYS46 2.3 21.7 1.0 FE2 A:FES109 2.7 17.1 1.0 CB A:CYS52 3.5 17.6 1.0 CB A:CYS46 3.6 23.8 1.0 N A:CYS52 3.8 21.8 1.0 N A:CYS46 3.9 20.6 1.0 CA A:CYS52 4.0 17.4 1.0 O A:CYS52 4.0 18.7 1.0 C A:CYS52 4.0 20.2 1.0 CA A:CYS46 4.1 23.7 1.0 N A:GLY48 4.2 30.4 1.0 N A:ALA51 4.3 25.2 1.0 SG A:CYS55 4.4 15.0 1.0 CA A:GLY48 4.4 32.8 1.0 N A:LEU50 4.4 29.1 1.0 C A:CYS46 4.5 28.0 1.0 N A:THR49 4.5 32.6 1.0 SG A:CYS92 4.5 18.1 1.0 N A:GLU47 4.6 27.9 1.0 C A:ALA51 4.7 23.4 1.0 OG1 A:THR54 4.8 16.5 1.0 CA A:LEU50 4.8 25.4 1.0 N A:ALA45 4.9 18.3 1.0 C A:GLY48 4.9 32.5 1.0 N A:SER53 4.9 17.1 1.0 CB A:CYS55 5.0 15.9 1.0

Iron binding site 2 out of 4 in the Bovine Adrenodoxin (Oxidized)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Bovine Adrenodoxin (Oxidized) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe109 b:17.1 occ:1.00 FE2 A:FES109 0.0 17.1 1.0 S2 A:FES109 2.2 17.8 1.0 S1 A:FES109 2.2 19.9 1.0 SG A:CYS55 2.3 15.0 1.0 SG A:CYS92 2.3 18.1 1.0 FE1 A:FES109 2.7 17.8 1.0 CB A:CYS92 3.3 16.2 1.0 CB A:CYS55 3.3 15.9 1.0 CA A:GLY48 4.1 32.8 1.0 N A:CYS92 4.2 14.9 1.0 CA A:CYS92 4.3 18.1 1.0 SG A:CYS52 4.4 16.2 1.0 N A:GLY48 4.5 30.4 1.0 SG A:CYS46 4.5 21.7 1.0 CB A:LEU90 4.6 18.1 1.0 CA A:CYS55 4.6 14.1 1.0 N A:CYS55 4.7 14.6 1.0 C A:GLY48 4.9 32.5 1.0 O A:CYS52 4.9 18.7 1.0 CD1 A:LEU90 5.0 22.5 1.0 N A:LEU50 5.0 29.1 1.0

Iron binding site 3 out of 4 in the Bovine Adrenodoxin (Oxidized)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Bovine Adrenodoxin (Oxidized) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe109 b:13.9 occ:1.00 FE1 B:FES109 0.0 13.9 1.0 S2 B:FES109 2.2 15.2 1.0 S1 B:FES109 2.2 15.8 1.0 SG B:CYS46 2.3 16.1 1.0 SG B:CYS52 2.3 12.8 1.0 FE2 B:FES109 2.7 14.0 1.0 CB B:CYS46 3.4 14.9 1.0 CB B:CYS52 3.6 12.9 1.0 N B:CYS52 3.6 14.2 1.0 CA B:CYS52 3.9 14.0 1.0 N B:CYS46 3.9 16.3 1.0 O B:CYS52 4.0 13.8 1.0 C B:CYS52 4.0 14.4 1.0 CA B:CYS46 4.0 17.4 1.0 N B:ALA51 4.2 19.7 1.0 C B:CYS46 4.4 18.5 1.0 SG B:CYS55 4.4 13.7 1.0 N B:GLY48 4.4 22.4 1.0 N B:LEU50 4.5 21.2 1.0 SG B:CYS92 4.5 15.9 1.0 C B:ALA51 4.5 16.9 1.0 OG1 B:THR54 4.6 13.9 1.0 N B:GLU47 4.6 20.0 1.0 N B:SER53 4.7 12.5 1.0 N B:THR49 4.7 22.5 1.0 CA B:LEU50 4.8 21.5 1.0 CA B:GLY48 4.8 22.8 1.0 N B:THR54 4.9 9.5 1.0 CA B:ALA51 5.0 18.5 1.0 C B:LEU50 5.0 20.9 1.0 O B:CYS46 5.0 19.5 1.0

Iron binding site 4 out of 4 in the Bovine Adrenodoxin (Oxidized)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Bovine Adrenodoxin (Oxidized) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe109 b:14.0 occ:1.00 FE2 B:FES109 0.0 14.0 1.0 S1 B:FES109 2.2 15.8 1.0 S2 B:FES109 2.2 15.2 1.0 SG B:CYS55 2.3 13.7 1.0 SG B:CYS92 2.3 15.9 1.0 FE1 B:FES109 2.7 13.9 1.0 CB B:CYS92 3.3 13.6 1.0 CB B:CYS55 3.4 16.2 1.0 N B:CYS92 4.2 14.8 1.0 CA B:CYS92 4.3 15.0 1.0 CA B:GLY48 4.4 22.8 1.0 SG B:CYS52 4.4 12.8 1.0 SG B:CYS46 4.4 16.1 1.0 N B:CYS55 4.6 10.2 1.0 CA B:CYS55 4.6 10.9 1.0 CB B:LEU90 4.6 16.9 1.0 N B:GLY48 4.6 22.4 1.0 O B:CYS52 4.7 13.8 1.0 N B:LEU50 4.9 21.2 1.0

A.Muller, J.J.Muller, Y.A.Muller, H.Uhlmann, R.Bernhardt, U.Heinemann. New Aspects of Electron Transfer Revealed By the Crystal Structure of A Truncated Bovine Adrenodoxin, Adx(4-108). Structure V. 6 269 1998.
ISSN: ISSN 0969-2126
PubMed: 9551550
DOI: 10.1016/S0969-2126(98)00031-8