Iron in PDB 7c3a: Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase

The structure of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase, PDB code: 7c3a 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)	35.67 / 2.60
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	158.692, 158.692, 81.446, 90, 90, 90
R / Rfree (%)	24.9 / 29.2

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

Iodine	(I)	3 atoms
Nickel	(Ni)	1 atom
Chlorine	(Cl)	10 atoms

The binding sites of Iron atom in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (pdb code 7c3a). 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, PDB code: 7c3a:
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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:53.0 occ:1.00 FE1 A:FES1002 0.0 53.0 1.0 SG A:CYS76 2.1 54.5 1.0 S1 A:FES1002 2.2 47.3 1.0 SG A:CYS43 2.2 58.1 1.0 S2 A:FES1002 2.2 52.8 1.0 FE2 A:FES1002 2.9 55.6 1.0 CB A:CYS76 3.1 53.3 1.0 CB A:CYS43 3.4 57.3 1.0 N A:CYS76 4.0 53.2 1.0 CA A:CYS76 4.2 52.1 1.0 N A:CYS43 4.2 60.3 1.0 N A:GLY38 4.3 66.1 1.0 SG A:CYS40 4.4 66.9 1.0 SG A:CYS35 4.4 67.0 1.0 CA A:CYS43 4.4 59.2 1.0 CA A:ALA36 4.4 61.3 1.0 CD2 A:LEU74 4.4 67.4 1.0 N A:ALA36 4.5 62.2 1.0 CB A:LEU74 4.6 62.0 1.0 CA A:GLY38 4.6 68.9 1.0 N A:SER37 4.7 62.0 1.0 C A:ALA36 4.8 61.2 1.0 N A:VAL42 4.9 63.7 1.0 N A:GLY41 4.9 69.4 1.0 CG A:LEU74 4.9 66.1 1.0 C A:CYS76 5.0 53.5 1.0

Iron binding site 2 out of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:55.6 occ:1.00 FE2 A:FES1002 0.0 55.6 1.0 SG A:CYS40 2.1 66.9 1.0 SG A:CYS35 2.1 67.0 1.0 S1 A:FES1002 2.2 47.3 1.0 S2 A:FES1002 2.2 52.8 1.0 FE1 A:FES1002 2.9 53.0 1.0 N A:CYS35 3.4 65.6 1.0 CB A:CYS35 3.4 67.8 1.0 CB A:CYS40 3.4 70.1 1.0 N A:ALA36 3.4 62.2 1.0 N A:CYS40 3.4 71.0 1.0 CA A:CYS35 3.8 66.2 1.0 CA A:CYS40 3.9 72.0 1.0 N A:GLY41 3.9 69.4 1.0 C A:CYS35 4.1 65.0 1.0 N A:GLY39 4.1 72.2 1.0 N A:GLY38 4.2 66.1 1.0 N A:SER37 4.2 62.0 1.0 SG A:CYS76 4.2 54.5 1.0 N A:GLU34 4.3 63.9 1.0 CA A:ALA36 4.3 61.3 1.0 C A:GLU34 4.3 65.4 1.0 C A:CYS40 4.4 72.3 1.0 C A:GLY39 4.5 73.3 1.0 N A:VAL42 4.5 63.7 1.0 CA A:GLU34 4.6 66.5 1.0 CA A:GLY38 4.7 68.9 1.0 CB A:GLU34 4.7 69.6 1.0 C A:GLY38 4.8 72.5 1.0 C A:ALA36 4.8 61.2 1.0 CA A:GLY39 4.8 74.0 1.0 SG A:CYS43 4.8 58.1 1.0 CA A:GLY41 4.9 68.3 1.0

Iron binding site 3 out of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1002 b:54.7 occ:1.00 FE1 B:FES1002 0.0 54.7 1.0 SG B:CYS76 2.1 65.4 1.0 S1 B:FES1002 2.2 49.1 1.0 SG B:CYS43 2.2 60.7 1.0 S2 B:FES1002 2.2 45.2 1.0 FE2 B:FES1002 2.9 54.7 1.0 CB B:CYS43 3.2 59.6 1.0 CB B:CYS76 3.3 65.0 1.0 N B:GLY38 4.0 69.9 1.0 N B:CYS76 4.1 63.0 1.0 N B:CYS43 4.3 62.1 1.0 CA B:GLY38 4.3 71.0 1.0 CA B:CYS76 4.3 63.6 1.0 CA B:CYS43 4.3 60.6 1.0 SG B:CYS35 4.5 68.6 1.0 CA B:ALA36 4.5 68.5 1.0 SG B:CYS40 4.5 67.9 1.0 N B:ALA36 4.6 68.9 1.0 N B:SER37 4.6 68.2 1.0 CB B:LEU74 4.7 67.2 1.0 CD2 B:LEU74 4.7 70.3 1.0 C B:ALA36 4.8 67.8 1.0 N B:ALA75 5.0 62.9 1.0

Iron binding site 4 out of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1002 b:54.7 occ:1.00 FE2 B:FES1002 0.0 54.7 1.0 SG B:CYS40 2.1 67.9 1.0 S2 B:FES1002 2.2 45.2 1.0 S1 B:FES1002 2.2 49.1 1.0 SG B:CYS35 2.2 68.6 1.0 FE1 B:FES1002 2.9 54.7 1.0 N B:CYS40 3.3 71.7 1.0 CB B:CYS40 3.4 70.3 1.0 N B:GLY41 3.7 68.0 1.0 CB B:CYS35 3.8 71.8 1.0 N B:CYS35 3.8 70.9 1.0 N B:GLY39 3.8 72.5 1.0 N B:ALA36 3.8 68.9 1.0 CA B:CYS40 3.8 71.0 1.0 CA B:CYS35 4.2 71.3 1.0 N B:GLY38 4.2 69.9 1.0 C B:GLY39 4.2 73.3 1.0 C B:CYS40 4.3 69.9 1.0 SG B:CYS76 4.4 65.4 1.0 N B:VAL42 4.4 64.5 1.0 C B:CYS35 4.4 70.2 1.0 N B:SER37 4.5 68.2 1.0 CA B:GLY39 4.5 74.5 1.0 C B:GLY38 4.5 72.5 1.0 N B:GLU34 4.6 70.5 1.0 CA B:GLY38 4.6 71.0 1.0 SG B:CYS43 4.6 60.7 1.0 CA B:ALA36 4.7 68.5 1.0 CA B:GLY41 4.7 67.3 1.0 C B:GLU34 4.9 72.3 1.0 N B:CYS43 4.9 62.1 1.0

Iron binding site 5 out of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1002 b:52.1 occ:1.00 FE1 C:FES1002 0.0 52.1 1.0 SG C:CYS43 2.1 57.2 1.0 S1 C:FES1002 2.2 42.1 1.0 S2 C:FES1002 2.2 44.3 1.0 SG C:CYS76 2.2 62.0 1.0 FE2 C:FES1002 2.9 50.0 1.0 CB C:CYS43 3.3 59.0 1.0 CB C:CYS76 3.4 56.7 1.0 N C:CYS76 4.1 55.1 1.0 N C:CYS43 4.2 65.4 1.0 CA C:CYS43 4.3 63.0 1.0 CB C:LEU74 4.3 69.0 1.0 N C:GLY38 4.3 68.3 1.0 CA C:CYS76 4.3 55.5 1.0 SG C:CYS40 4.4 64.8 1.0 CA C:ALA36 4.5 58.6 1.0 CA C:GLY38 4.6 71.4 1.0 N C:ALA36 4.6 60.1 1.0 SG C:CYS35 4.6 64.5 1.0 CD2 C:LEU74 4.7 75.0 1.0 CD1 C:LEU74 4.8 75.5 1.0 N C:SER37 4.8 64.3 1.0 CG C:LEU74 4.8 73.8 1.0 N C:ALA75 4.9 59.6 1.0 C C:ALA36 4.9 61.0 1.0 N C:GLY41 5.0 72.1 1.0 C C:CYS43 5.0 65.1 1.0

Iron binding site 6 out of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1002 b:50.0 occ:1.00 FE2 C:FES1002 0.0 50.0 1.0 SG C:CYS40 2.1 64.8 1.0 SG C:CYS35 2.2 64.5 1.0 S1 C:FES1002 2.2 42.1 1.0 S2 C:FES1002 2.2 44.3 1.0 FE1 C:FES1002 2.9 52.1 1.0 CB C:CYS40 3.3 69.4 1.0 N C:CYS40 3.4 73.1 1.0 N C:CYS35 3.5 62.1 1.0 N C:ALA36 3.5 60.1 1.0 CB C:CYS35 3.6 65.8 1.0 CA C:CYS40 3.8 73.0 1.0 N C:GLY41 3.8 72.1 1.0 CA C:CYS35 3.9 63.4 1.0 C C:CYS35 4.1 61.9 1.0 N C:GLY39 4.1 74.4 1.0 SG C:CYS76 4.2 62.0 1.0 C C:CYS40 4.3 74.2 1.0 N C:GLY38 4.3 68.3 1.0 N C:SER37 4.3 64.3 1.0 CA C:ALA36 4.3 58.6 1.0 N C:GLU34 4.4 62.2 1.0 C C:GLY39 4.4 77.3 1.0 N C:VAL42 4.5 70.1 1.0 C C:GLU34 4.6 62.0 1.0 SG C:CYS43 4.7 57.2 1.0 CB C:GLU34 4.7 67.2 1.0 CA C:GLY38 4.8 71.4 1.0 CA C:GLY39 4.8 77.5 1.0 CA C:GLU34 4.8 63.9 1.0 C C:ALA36 4.8 61.0 1.0 C C:GLY38 4.8 75.0 1.0 CA C:GLY41 4.9 73.6 1.0

Y.Ashikawa, 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.