Iron in PDB 7c3b: Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)

The structure of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form), PDB code: 7c3b was solved by Y.Ashikawa, Z.Fujimoto, H.Nojiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.07 / 2.40
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	161.924, 161.924, 79.606, 90, 90, 90
R / Rfree (%)	22.7 / 28.1

The structure of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form) also contains other interesting chemical elements:

Chlorine	(Cl)	18 atoms
Iodine	(I)	3 atoms
Nickel	(Ni)	1 atom

The binding sites of Iron atom in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form) (pdb code 7c3b). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form), PDB code: 7c3b:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:41.6 occ:1.00 FE1 A:FES401 0.0 41.6 1.0 SG A:CYS76 2.1 45.5 1.0 S2 A:FES401 2.2 42.3 1.0 S1 A:FES401 2.2 42.8 1.0 SG A:CYS43 2.3 44.3 1.0 FE2 A:FES401 2.9 42.4 1.0 CB A:CYS76 3.2 46.8 1.0 CB A:CYS43 3.4 45.9 1.0 N A:CYS76 4.1 43.0 1.0 N A:CYS43 4.2 48.1 1.0 N A:GLY38 4.2 47.2 1.0 CA A:CYS76 4.2 44.8 1.0 SG A:CYS35 4.4 47.5 1.0 CA A:CYS43 4.4 47.0 1.0 CA A:GLY38 4.5 49.2 1.0 N A:ALA36 4.6 43.1 1.0 CA A:ALA36 4.6 46.0 1.0 N A:SER37 4.6 47.0 1.0 CB A:LEU74 4.6 46.7 1.0 CD2 A:LEU74 4.7 46.6 1.0 SG A:CYS40 4.7 46.7 1.0 C A:ALA36 4.9 44.8 1.0 N A:VAL42 5.0 49.0 1.0

Iron binding site 2 out of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:42.4 occ:1.00 FE2 A:FES401 0.0 42.4 1.0 SG A:CYS40 2.2 46.7 1.0 S1 A:FES401 2.2 42.8 1.0 S2 A:FES401 2.2 42.3 1.0 SG A:CYS35 2.3 47.5 1.0 FE1 A:FES401 2.9 41.6 1.0 CB A:CYS40 3.4 48.0 1.0 N A:CYS40 3.4 47.4 1.0 CB A:CYS35 3.4 45.4 1.0 N A:CYS35 3.5 45.1 1.0 CA A:CYS40 3.8 48.6 1.0 N A:GLY41 3.8 48.7 1.0 N A:ALA36 3.8 43.1 1.0 CA A:CYS35 3.9 45.1 1.0 N A:GLY39 4.1 51.8 1.0 C A:CYS40 4.2 50.4 1.0 C A:CYS35 4.3 41.2 1.0 N A:VAL42 4.3 49.0 1.0 SG A:CYS76 4.3 45.5 1.0 N A:GLU34 4.4 47.0 1.0 N A:GLY38 4.4 47.2 1.0 C A:GLY39 4.5 50.8 1.0 N A:SER37 4.5 47.0 1.0 C A:GLU34 4.6 48.4 1.0 CA A:ALA36 4.7 46.0 1.0 CA A:GLY41 4.8 49.7 1.0 CA A:GLY39 4.8 51.1 1.0 C A:GLY38 4.9 51.0 1.0 SG A:CYS43 4.9 44.3 1.0 CA A:GLU34 4.9 50.1 1.0 CB A:VAL42 4.9 48.2 1.0 CA A:GLY38 4.9 49.2 1.0 C A:GLY41 4.9 50.1 1.0 N A:CYS43 5.0 48.1 1.0 CB A:GLU34 5.0 55.9 1.0

Iron binding site 3 out of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:43.8 occ:1.00 FE1 B:FES401 0.0 43.8 1.0 SG B:CYS43 2.2 50.5 1.0 S1 B:FES401 2.2 40.8 1.0 S2 B:FES401 2.2 43.9 1.0 SG B:CYS76 2.2 53.4 1.0 FE2 B:FES401 2.9 45.1 1.0 CB B:CYS76 3.2 53.8 1.0 CB B:CYS43 3.3 51.6 1.0 N B:GLY38 4.2 60.0 1.0 N B:CYS43 4.2 55.5 1.0 N B:CYS76 4.2 50.2 1.0 CA B:CYS43 4.3 52.8 1.0 CA B:CYS76 4.3 53.3 1.0 CA B:GLY38 4.4 61.1 1.0 CB B:LEU74 4.4 58.3 1.0 CA B:ALA36 4.5 54.0 1.0 SG B:CYS35 4.6 55.7 1.0 N B:ALA36 4.6 55.0 1.0 CD1 B:LEU74 4.7 59.6 1.0 N B:SER37 4.8 55.4 1.0 SG B:CYS40 4.8 53.5 1.0 C B:ALA36 4.9 55.0 1.0 N B:GLY41 4.9 60.5 1.0

Iron binding site 4 out of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:45.1 occ:1.00 FE2 B:FES401 0.0 45.1 1.0 SG B:CYS40 2.2 53.5 1.0 S2 B:FES401 2.2 43.9 1.0 S1 B:FES401 2.2 40.8 1.0 SG B:CYS35 2.3 55.7 1.0 FE1 B:FES401 2.9 43.8 1.0 CB B:CYS40 3.3 60.2 1.0 N B:CYS40 3.4 60.8 1.0 N B:GLY41 3.5 60.5 1.0 CB B:CYS35 3.6 55.9 1.0 N B:CYS35 3.7 54.0 1.0 CA B:CYS40 3.7 61.3 1.0 N B:ALA36 3.8 55.0 1.0 C B:CYS40 4.0 61.7 1.0 CA B:CYS35 4.1 54.6 1.0 N B:GLY39 4.1 60.5 1.0 N B:GLY38 4.3 60.0 1.0 C B:CYS35 4.3 56.2 1.0 N B:VAL42 4.3 56.6 1.0 N B:SER37 4.5 55.4 1.0 N B:GLU34 4.5 56.3 1.0 SG B:CYS76 4.5 53.4 1.0 CA B:GLY41 4.5 60.9 1.0 C B:GLY39 4.6 63.2 1.0 CA B:ALA36 4.6 54.0 1.0 SG B:CYS43 4.7 50.5 1.0 CA B:GLY38 4.7 61.1 1.0 C B:GLY38 4.7 60.3 1.0 C B:GLU34 4.7 57.4 1.0 C B:GLY41 4.9 58.5 1.0 CA B:GLY39 4.9 62.7 1.0 N B:CYS43 5.0 55.5 1.0

Iron binding site 5 out of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:47.1 occ:1.00 FE1 C:FES401 0.0 47.1 1.0 S2 C:FES401 2.2 44.1 1.0 SG C:CYS43 2.2 60.2 1.0 S1 C:FES401 2.2 44.1 1.0 SG C:CYS76 2.3 61.8 1.0 FE2 C:FES401 2.9 46.7 1.0 CB C:CYS76 3.3 59.6 1.0 CB C:CYS43 3.4 63.0 1.0 N C:CYS43 4.2 70.0 1.0 N C:CYS76 4.2 61.9 1.0 N C:GLY38 4.2 66.4 1.0 CA C:CYS76 4.4 60.0 1.0 CA C:CYS43 4.4 67.3 1.0 CB C:LEU74 4.4 69.8 1.0 CA C:GLY38 4.5 67.3 1.0 N C:ALA36 4.5 60.5 1.0 SG C:CYS35 4.5 62.9 1.0 CA C:ALA36 4.6 58.3 1.0 CD2 C:LEU74 4.6 73.5 1.0 N C:SER37 4.8 60.9 1.0 SG C:CYS40 4.8 64.5 1.0 N C:GLY41 4.8 69.3 1.0 CG C:LEU74 4.9 72.3 1.0 C C:ALA36 4.9 59.3 1.0 CD1 C:LEU74 4.9 73.8 1.0 N C:VAL42 4.9 69.1 1.0

Iron binding site 6 out of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:46.7 occ:1.00 FE2 C:FES401 0.0 46.7 1.0 S1 C:FES401 2.2 44.1 1.0 S2 C:FES401 2.2 44.1 1.0 SG C:CYS40 2.3 64.5 1.0 SG C:CYS35 2.3 62.9 1.0 FE1 C:FES401 2.9 47.1 1.0 CB C:CYS40 3.4 69.5 1.0 N C:CYS40 3.4 71.8 1.0 N C:CYS35 3.5 60.6 1.0 CB C:CYS35 3.5 62.8 1.0 N C:GLY41 3.5 69.3 1.0 CA C:CYS40 3.8 73.1 1.0 N C:ALA36 3.8 60.5 1.0 CA C:CYS35 3.9 62.0 1.0 C C:CYS40 4.1 72.7 1.0 N C:GLY39 4.2 71.9 1.0 C C:CYS35 4.2 59.7 1.0 N C:VAL42 4.3 69.1 1.0 N C:GLY38 4.3 66.4 1.0 SG C:CYS76 4.4 61.8 1.0 N C:GLU34 4.5 63.2 1.0 N C:SER37 4.5 60.9 1.0 C C:GLY39 4.6 74.8 1.0 CA C:GLY41 4.6 70.7 1.0 C C:GLU34 4.6 61.9 1.0 CA C:ALA36 4.7 58.3 1.0 SG C:CYS43 4.7 60.2 1.0 CA C:GLY38 4.8 67.3 1.0 C C:GLY38 4.8 70.3 1.0 CA C:GLY39 4.9 74.3 1.0 C C:GLY41 4.9 70.1 1.0 CA C:GLU34 4.9 63.5 1.0 CG C:GLU34 4.9 74.4 1.0 CB C:GLU34 5.0 71.3 1.0

Y.Ashiakawa, Z.Fujimoto, K.Inoue, H.Yamane, H.Nojiri. Crystal Structure of the Ferredoxin Reductase Component of Carbazole 1,9A-Dioxygenase of Janthinobacterium Sp. J3 To Be Published.