Iron in PDB 3gce: Ferredoxin of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177

The structure of Ferredoxin of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177, PDB code: 3gce was solved by K.Inoue, H.Nojiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.80 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	50.116, 50.116, 82.224, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 18.9

The binding sites of Iron atom in the Ferredoxin of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 (pdb code 3gce). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ferredoxin of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177, PDB code: 3gce:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ferredoxin of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferredoxin of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:10.4 occ:1.00 FE1 A:FES201 0.0 10.4 1.0 S2 A:FES201 2.2 10.4 1.0 SG A:CYS72 2.2 12.4 1.0 S1 A:FES201 2.3 13.6 1.0 SG A:CYS51 2.3 10.3 1.0 FE2 A:FES201 2.7 12.8 1.0 CB A:CYS72 3.2 11.6 1.0 CB A:CYS51 3.2 9.7 1.0 CB A:HIS53 4.1 11.8 1.0 CB A:ALA56 4.2 12.6 1.0 ND1 A:HIS53 4.4 14.6 1.0 SG A:CYS91 4.4 16.1 1.0 N A:HIS75 4.5 11.2 1.0 ND1 A:HIS75 4.5 11.5 1.0 CA A:CYS72 4.6 11.2 1.0 CA A:CYS51 4.7 9.9 1.0 N A:ALA54 4.7 13.2 1.0 CG A:HIS53 4.7 15.2 1.0 CB A:LEU74 4.8 11.0 1.0 O A:ALA54 4.8 14.2 1.0 N A:HIS53 4.9 11.6 1.0 CA A:HIS53 5.0 12.6 1.0

Iron binding site 2 out of 2 in the Ferredoxin of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferredoxin of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:12.8 occ:1.00 FE2 A:FES201 0.0 12.8 1.0 ND1 A:HIS53 2.1 14.6 1.0 ND1 A:HIS75 2.1 11.5 1.0 S2 A:FES201 2.2 10.4 1.0 S1 A:FES201 2.3 13.6 1.0 FE1 A:FES201 2.7 10.4 1.0 CE1 A:HIS53 3.0 18.0 1.0 CG A:HIS75 3.1 10.7 1.0 CE1 A:HIS75 3.1 10.1 1.0 CG A:HIS53 3.1 15.2 1.0 CB A:HIS75 3.3 11.1 1.0 CB A:HIS53 3.5 11.8 1.0 N A:HIS75 4.0 11.2 1.0 NE2 A:HIS53 4.2 19.0 1.0 CA A:HIS75 4.2 10.6 1.0 N A:ALA54 4.2 13.2 1.0 CD2 A:HIS75 4.2 11.9 1.0 NE2 A:HIS75 4.2 9.2 1.0 CD2 A:HIS53 4.2 16.8 1.0 CG A:PRO90 4.3 11.9 1.0 CB A:ALA54 4.4 14.6 1.0 SG A:CYS51 4.4 10.3 1.0 SG A:CYS72 4.4 12.4 1.0 C A:HIS53 4.6 13.7 1.0 CA A:HIS53 4.6 12.6 1.0 CB A:LEU74 4.8 11.0 1.0 CA A:ALA54 4.9 14.7 1.0 C A:HIS75 4.9 11.2 1.0 CD2 A:LEU74 4.9 11.2 1.0 C A:LEU74 5.0 10.9 1.0 CG A:LEU74 5.0 12.7 1.0

K.Inoue, Y.Ashikawa, T.Umeda, M.Abo, J.Katsuki, Y.Usami, H.Noguchi, Z.Fujimoto, T.Terada, H.Yamane, H.Nojiri. Specific Interactions Between the Ferredoxin and Terminal Oxygenase Components of A Class Iib Rieske Nonheme Iron Oxygenase, Carbazole 1,9A-Dioxygenase. J.Mol.Biol. V. 392 436 2009.
ISSN: ISSN 0022-2836
PubMed: 19616558
DOI: 10.1016/J.JMB.2009.07.029