Iodine 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:

Iron	(Fe)	6 atoms
Nickel	(Ni)	1 atom
Chlorine	(Cl)	10 atoms

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1003 b:73.1 occ:1.00 CB A:LYS183 3.6 130.9 1.0 CG2 A:VAL110 3.6 105.8 1.0 CA A:LYS183 3.8 121.3 1.0 N A:VAL184 4.1 117.7 1.0 O A:ARG182 4.4 126.9 1.0 C A:LYS183 4.5 117.3 1.0 CG A:LYS183 4.5 136.9 1.0 CB A:VAL110 4.7 98.7 1.0 CG1 A:VAL110 4.8 94.4 1.0 CG2 A:VAL184 4.9 117.0 1.0 N A:LYS183 4.9 120.8 1.0

Iodine binding site 2 out of 3 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1004 b:75.8 occ:1.00 N A:ASP17 3.6 63.5 1.0 CB A:LYS18 3.7 67.7 1.0 C A:ASP17 3.8 66.8 1.0 ND1 A:HIS-1 3.8 70.8 1.0 CG A:HIS-1 3.8 70.5 1.0 CE A:LYS18 3.9 77.6 1.0 CB A:HIS-1 3.9 69.2 1.0 N A:LYS18 4.0 65.4 1.0 CA A:ASP17 4.0 67.8 1.0 O A:ASP17 4.0 68.6 1.0 N A:SER16 4.1 64.3 1.0 CA A:GLY15 4.1 64.0 1.0 CB A:ASP17 4.2 72.9 1.0 C A:GLY15 4.4 62.2 1.0 CE1 A:HIS-1 4.4 72.5 1.0 CA A:LYS18 4.4 65.4 1.0 CD2 A:HIS-1 4.5 73.5 1.0 CG A:LYS18 4.6 69.1 1.0 C A:SER16 4.7 63.6 1.0 NZ A:LYS18 4.7 80.9 1.0 NE2 A:HIS-1 4.8 73.9 1.0 CD A:LYS18 4.8 72.7 1.0 OG A:SER16 4.9 65.9 1.0 CA A:SER16 5.0 63.5 1.0

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ C:I1003 b:65.2 occ:0.50 CA C:LYS183 3.9 90.3 1.0 O C:ARG182 3.9 102.0 1.0 N C:VAL184 3.9 86.1 1.0 C C:LYS183 4.3 84.9 1.0 CD C:ARG182 4.4 95.1 1.0 NE C:ARG182 4.5 100.6 1.0 N C:LYS183 4.5 90.2 1.0 C C:ARG182 4.5 98.1 1.0 CG C:ARG182 4.5 93.0 1.0 CG2 C:VAL184 4.5 82.8 1.0 CG2 C:VAL110 4.6 72.8 1.0 CB C:LYS183 4.8 95.1 1.0 CB C:VAL110 4.9 72.8 1.0 CG C:LYS183 4.9 98.3 1.0 CB C:VAL184 4.9 86.0 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.