Chlorine 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:

Iodine	(I)	3 atoms
Iron	(Fe)	6 atoms
Nickel	(Ni)	1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 18 binding sites of Chlorine where determined in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form), PDB code: 7c3b:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 18 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl403 b:32.2 occ:1.00 OG A:SER54 3.3 57.1 1.0 N A:LEU74 3.7 48.6 1.0 SG A:CYS78 3.7 53.3 1.0 CD2 A:LEU62 3.8 62.0 1.0 CB A:SER54 4.0 56.1 1.0 CB A:LEU74 4.0 46.7 1.0 CB A:GLN77 4.1 46.2 1.0 CG A:LEU74 4.3 48.8 1.0 O A:LEU74 4.3 42.0 1.0 CD1 A:LEU74 4.4 49.7 1.0 CA A:LEU74 4.4 44.4 1.0 CB A:HIS73 4.4 49.5 1.0 CA A:HIS73 4.5 49.9 1.0 C A:HIS73 4.6 45.9 1.0 O A:TRP56 4.6 63.4 1.0 CD2 A:HIS73 4.7 55.9 1.0 CG A:GLN77 4.8 48.4 1.0 C A:LEU74 4.9 40.0 1.0 CA A:SER54 4.9 57.6 1.0 CG A:HIS73 5.0 54.0 1.0 CG A:LEU62 5.0 61.9 1.0

Chlorine binding site 2 out of 18 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl404 b:48.5 occ:1.00 N A:SER19 3.4 47.3 1.0 CA A:LYS18 3.8 56.3 1.0 CB A:LYS18 4.0 59.8 1.0 CG2 A:VAL22 4.0 51.1 1.0 C A:LYS18 4.1 51.2 1.0 CB A:SER19 4.3 45.5 1.0 OG A:SER19 4.3 45.0 1.0 CG1 A:VAL22 4.3 51.5 1.0 CA A:SER19 4.5 43.6 1.0 CG1 A:VAL147 4.5 69.3 1.0 CG2 A:VAL147 4.7 63.0 1.0 CE A:MET55 4.8 57.4 1.0 CD1 A:LEU137 4.8 54.7 1.0 O A:ASP17 4.8 63.4 1.0 CB A:VAL22 4.8 50.5 1.0 CB A:VAL147 4.8 66.5 1.0 OE1 A:GLU139 5.0 79.2 1.0 N A:LYS18 5.0 57.9 1.0

Chlorine binding site 3 out of 18 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 A:Cl405 b:44.5 occ:1.00 NZ A:LYS18 2.9 66.6 1.0 N A:LYS102 4.0 61.1 1.0 CB A:ALA26 4.0 51.5 1.0 CA A:SER101 4.1 59.2 1.0 C A:SER101 4.2 56.0 1.0 O A:HOH517 4.2 48.9 1.0 CE A:LYS18 4.3 62.9 1.0 CB A:LYS102 4.5 70.2 1.0 O A:ILE100 4.5 62.8 1.0 CD1 A:ILE100 4.6 66.7 1.0 N A:SER101 4.6 56.6 1.0 CG1 A:ILE100 4.6 63.9 1.0 CD A:LYS18 4.6 60.1 1.0 CG2 A:THR191 4.7 53.2 1.0 CA A:LYS102 4.7 64.5 1.0 C A:ILE100 4.7 57.6 1.0 O A:SER101 5.0 54.7 1.0

Chlorine binding site 4 out of 18 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 A:Cl406 b:44.6 occ:1.00 CA A:GLY212 3.8 58.5 1.0 CG A:MET305 4.0 62.3 1.0 CD A:PRO302 4.1 58.0 1.0 CB A:MET305 4.2 62.6 1.0 CG A:PRO302 4.2 59.4 1.0 C A:GLY212 4.2 57.1 1.0 N A:GLY213 4.4 58.8 1.0 O A:HOH575 4.6 42.6 1.0 SD A:MET305 4.8 60.3 1.0 O A:GLY212 4.9 55.1 1.0

Chlorine binding site 5 out of 18 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 A:Cl407 b:44.6 occ:1.00 O A:HOH527 3.3 42.3 1.0 O A:HOH567 3.5 47.0 1.0 CB A:SER155 3.8 55.0 1.0 CA A:ALA225 3.9 48.3 1.0 CB A:ALA225 4.0 45.3 1.0 NH1 A:ARG228 4.1 75.6 1.0 CD A:ARG228 4.1 75.7 1.0 N A:ALA225 4.2 50.2 1.0 OG A:SER155 4.3 61.8 1.0 CG A:ARG224 4.4 56.1 1.0 CD A:ARG224 4.4 55.0 1.0 CG A:PRO132 4.4 52.0 1.0 C A:ARG224 4.6 54.9 1.0 O A:HOH531 4.7 41.2 1.0 O A:ARG224 4.8 51.8 1.0 CB A:ARG224 4.8 56.0 1.0 CB A:ARG228 4.8 62.6 1.0 CG A:ARG228 4.9 71.7 1.0

Chlorine binding site 6 out of 18 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 A:Cl408 b:46.2 occ:1.00 OG A:SER175 3.6 64.6 1.0 N A:LYS167 3.8 64.5 1.0 CD1 A:TRP177 4.1 63.9 1.0 CB A:ILE166 4.1 61.7 1.0 NH2 A:ARG182 4.1 78.6 1.0 CB A:LYS167 4.3 72.8 1.0 CB A:SER175 4.3 71.8 1.0 CB A:TRP177 4.4 67.5 1.0 CA A:LYS167 4.6 69.3 1.0 CG A:TRP177 4.6 64.3 1.0 CE2 A:TYR150 4.6 49.6 1.0 OH A:TYR150 4.6 56.6 1.0 O A:LYS167 4.6 69.2 1.0 CA A:ILE166 4.6 58.7 1.0 CG2 A:ILE166 4.7 60.1 1.0 C A:ILE166 4.7 60.1 1.0

Chlorine binding site 7 out of 18 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:45.5 occ:1.00 N A:ALA214 3.6 53.4 1.0 CD A:PRO302 3.8 58.0 1.0 CG A:PRO302 3.9 59.4 1.0 O A:GLY212 4.0 55.1 1.0 N A:PRO302 4.0 55.5 1.0 CB A:ALA214 4.1 56.4 1.0 C A:GLY301 4.3 52.0 1.0 O A:HOH521 4.3 45.7 1.0 N A:GLY215 4.3 51.5 1.0 CA A:ALA214 4.3 54.1 1.0 CA A:GLY213 4.4 57.3 1.0 C A:GLY213 4.4 55.6 1.0 CA A:GLY301 4.5 52.4 1.0 CA A:PRO302 4.6 57.9 1.0 C A:ALA214 4.8 51.9 1.0 CB A:PRO302 4.8 61.0 1.0 O A:GLY301 4.8 49.9 1.0 C A:GLY212 4.9 57.1 1.0

Chlorine binding site 8 out of 18 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:32.4 occ:1.00 OG B:SER54 3.2 68.4 1.0 N B:LEU74 3.6 60.0 1.0 CB B:SER54 3.8 68.1 1.0 SG B:CYS78 4.0 64.1 1.0 CD1 B:LEU62 4.0 74.1 1.0 CG B:LEU74 4.1 58.9 1.0 CB B:LEU74 4.1 58.3 1.0 CB B:HIS73 4.2 64.9 1.0 CB B:GLN77 4.2 55.4 1.0 CA B:HIS73 4.3 64.5 1.0 O B:TRP56 4.4 64.4 1.0 CA B:LEU74 4.5 58.0 1.0 C B:HIS73 4.5 60.8 1.0 O B:LEU74 4.5 56.4 1.0 CG B:LEU62 4.5 72.2 1.0 CD2 B:HIS73 4.6 69.9 1.0 CD1 B:LEU74 4.7 59.6 1.0 CG B:HIS73 4.8 68.7 1.0 CG B:GLN77 4.9 56.0 1.0 CA B:SER54 4.9 66.4 1.0 CB B:ALA59 4.9 63.1 1.0 C B:LEU74 5.0 56.5 1.0

Chlorine binding site 9 out of 18 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:47.6 occ:1.00 N B:SER19 3.6 57.9 1.0 CG1 B:VAL22 3.6 57.7 1.0 CA B:LYS18 4.1 60.6 1.0 OG B:SER19 4.1 49.5 1.0 CB B:SER19 4.2 53.2 1.0 C B:LYS18 4.3 59.6 1.0 CG2 B:VAL147 4.4 79.3 1.0 CA B:SER19 4.5 54.1 1.0 CB B:LYS18 4.6 62.8 1.0 O B:ASP17 4.7 66.7 1.0 CD1 B:LEU137 4.8 62.0 1.0 CB B:VAL22 4.9 56.6 1.0 CG1 B:VAL147 5.0 70.2 1.0

Chlorine binding site 10 out of 18 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (Fad Apo Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:46.0 occ:1.00 NZ B:LYS18 2.9 69.9 1.0 CE B:LYS18 3.1 71.5 1.0 N B:LYS102 3.8 74.1 1.0 CA B:SER101 3.9 74.0 1.0 CB B:ALA26 4.1 65.4 1.0 CG2 B:VAL22 4.1 58.7 1.0 C B:SER101 4.1 72.1 1.0 CD1 B:ILE100 4.2 70.3 1.0 CD B:LYS18 4.5 71.3 1.0 O B:ILE100 4.5 72.2 1.0 CG1 B:ILE100 4.5 68.4 1.0 CB B:LYS102 4.6 78.5 1.0 N B:SER101 4.6 71.9 1.0 CG2 B:THR191 4.7 67.7 1.0 C B:ILE100 4.8 72.7 1.0 CA B:LYS102 4.8 74.5 1.0 CB B:SER101 5.0 74.8 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.