Iodine 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
Iron	(Fe)	6 atoms
Nickel	(Ni)	1 atom

The binding sites of Iodine 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 Iodine atom.
In total 3 binding sites of Iodine where determined in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form), PDB code: 7c3b:
Jump to Iodine binding site number: 1; 2; 3;

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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:I402 b:49.5 occ:1.00 NH1 A:ARG85 3.5 52.7 1.0 CA A:GLU7 3.8 58.3 1.0 CB A:GLU7 3.9 60.1 1.0 N A:GLU7 4.0 56.9 1.0 CB A:ARG85 4.1 51.5 1.0 CD A:ARG85 4.3 54.2 1.0 CB A:LYS5 4.3 56.3 1.0 CG A:ARG85 4.5 52.5 1.0 CG A:GLU7 4.5 65.3 1.0 CZ A:ARG85 4.6 50.1 1.0 CD2 A:LEU48 4.6 54.1 1.0 O A:LYS5 4.6 47.0 1.0 C A:ILE6 4.6 52.0 1.0 CA A:ARG85 4.8 49.2 1.0 CE A:LYS5 4.8 67.1 1.0 O A:ILE86 4.8 49.5 1.0 C A:LYS5 4.8 48.4 1.0 OE2 A:GLU7 4.9 71.2 1.0 NE A:ARG85 4.9 52.6 1.0

Iodine binding site 2 out of 3 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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 B:I402 b:51.5 occ:1.00 OE1 B:GLU267 3.5 94.8 1.0 CG B:PRO302 3.9 66.7 1.0 CB B:PRO304 4.0 70.6 1.0 N B:MET305 4.0 65.5 1.0 OG1 B:THR266 4.0 79.1 1.0 CB B:MET305 4.1 66.5 1.0 CG2 B:THR266 4.3 85.6 1.0 O B:THR266 4.3 77.8 1.0 CB B:PRO302 4.4 66.6 1.0 CA B:MET305 4.5 64.8 1.0 C B:PRO304 4.6 65.0 1.0 CG B:PRO304 4.6 71.8 1.0 CD B:GLU267 4.7 93.1 1.0 CB B:THR266 4.8 83.4 1.0 C B:THR266 4.8 86.6 1.0 CA B:PRO304 4.8 67.3 1.0 CD B:PRO304 4.9 68.5 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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 C:I402 b:52.0 occ:1.00 CD1 C:ILE227 3.8 65.9 1.0 CA C:ILE254 3.8 72.0 1.0 N C:ASP255 3.9 73.6 1.0 OD1 C:ASP255 4.0 85.4 1.0 O C:ASP253 4.0 75.6 1.0 CB C:ILE254 4.2 70.9 1.0 CG2 C:ILE227 4.3 66.6 1.0 CG C:ARG224 4.3 67.3 1.0 C C:ILE254 4.4 72.4 1.0 CG2 C:ILE254 4.5 66.5 1.0 CB C:ILE227 4.6 65.5 1.0 CD C:LYS258 4.7 74.5 1.0 CG1 C:ILE227 4.7 64.1 1.0 O C:ASP255 4.8 64.5 1.0 CA C:ARG224 4.8 58.2 1.0 N C:ILE254 4.8 69.7 1.0 C C:ASP253 4.8 72.0 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.