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

Protein crystallography data

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

Other elements in 7c3a:

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

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase (pdb code 7c3a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase, PDB code: 7c3a:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 7c3a

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Chlorine binding site 1 out of 10 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1005

b:51.3
occ:1.00
 N A:LEU74 3.4 61.1 1.0
OG A:SER54 3.4 85.3 1.0
CB A:LEU74 3.9 62.0 1.0
CG A:LEU74 4.1 66.1 1.0
CA A:HIS73 4.2 64.4 1.0
CB A:GLN77 4.2 62.0 1.0
CA A:LEU74 4.2 59.8 1.0
CB A:HIS73 4.3 63.1 1.0
CD1 A:LEU74 4.3 68.3 1.0
C A:HIS73 4.3 62.0 1.0
SG A:CYS78 4.3 67.4 1.0
O A:LEU74 4.4 52.8 1.0
CD2 A:HIS73 4.5 68.3 1.0
CB A:SER54 4.5 79.2 1.0
O A:TRP56 4.5 81.4 1.0
CD2 A:LEU62 4.6 83.1 1.0
CG A:HIS73 4.7 66.2 1.0
C A:LEU74 4.8 55.7 1.0
O A:GLN77 4.8 59.7 1.0
CG A:GLN77 5.0 64.5 1.0

Chlorine binding site 2 out of 10 in 7c3a

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Chlorine binding site 2 out of 10 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1006

b:58.9
occ:1.00
 CG1 A:VAL22 3.4 60.8 1.0
N A:SER19 3.4 59.4 1.0
CB A:SER19 3.8 57.4 1.0
OE2 A:GLU139 4.1 82.0 1.0
OG A:SER19 4.2 58.4 1.0
CA A:SER19 4.2 56.9 1.0
CD1 A:LEU137 4.2 64.9 1.0
CA A:LYS18 4.3 65.4 1.0
C A:LYS18 4.3 62.0 1.0
CB A:VAL22 4.7 60.2 1.0
CG A:LYS18 4.8 69.1 1.0
CG1 A:VAL147 4.9 82.8 1.0
CG2 A:VAL22 5.0 61.5 1.0

Chlorine binding site 3 out of 10 in 7c3a

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Chlorine binding site 3 out of 10 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1007

b:64.1
occ:1.00
 N A:LYS102 3.6 71.6 1.0
CE A:LYS18 3.9 77.6 1.0
CG2 A:VAL22 4.0 61.5 1.0
CD A:LYS18 4.0 72.7 1.0
NZ A:LYS18 4.1 80.9 1.0
CA A:SER101 4.1 68.9 1.0
C A:SER101 4.1 67.2 1.0
CB A:LYS102 4.1 78.9 1.0
CA A:LYS102 4.4 72.3 1.0
O A:ILE100 4.5 70.9 1.0
CG A:LYS18 4.7 69.1 1.0
N A:SER101 4.8 66.5 1.0
CG2 A:THR191 4.8 65.7 1.0
CG1 A:ILE100 4.8 70.6 1.0
C A:ILE100 4.9 68.2 1.0
CB A:ALA26 4.9 66.1 1.0
CD1 A:ILE100 4.9 70.3 1.0
O A:VAL22 5.0 61.4 1.0

Chlorine binding site 4 out of 10 in 7c3a

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Chlorine binding site 4 out of 10 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1008

b:57.9
occ:1.00
 NH1 A:ARG85 3.5 79.0 1.0
CD A:ARG85 3.9 74.0 1.0
CA A:GLU7 4.0 79.3 1.0
CB A:GLU7 4.0 83.0 1.0
N A:GLU7 4.1 75.4 1.0
CB A:ARG85 4.1 68.0 1.0
CG A:GLU7 4.2 89.8 1.0
CG A:ARG85 4.3 70.5 1.0
CD2 A:LEU48 4.6 77.8 1.0
CB A:LYS5 4.6 74.8 1.0
CZ A:ARG85 4.6 77.8 1.0
O A:LYS5 4.7 68.2 1.0
NE A:ARG85 4.7 75.9 1.0
C A:ILE6 4.8 73.9 1.0
C A:LYS5 4.8 70.1 1.0
CA A:ARG85 4.8 64.3 1.0
N A:ILE6 5.0 72.0 1.0

Chlorine binding site 5 out of 10 in 7c3a

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Chlorine binding site 5 out of 10 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1003

b:44.1
occ:1.00
 N B:LEU74 3.3 66.5 1.0
OG B:SER54 3.3 74.2 1.0
CB B:LEU74 3.8 67.2 1.0
SG B:CYS78 3.8 73.8 1.0
CB B:SER54 4.0 75.4 1.0
O B:LEU74 4.0 62.8 1.0
CB B:GLN77 4.0 67.3 1.0
CA B:LEU74 4.0 65.6 1.0
CA B:HIS73 4.1 70.7 1.0
CB B:HIS73 4.1 71.3 1.0
CG B:LEU74 4.2 69.4 1.0
C B:HIS73 4.2 67.8 1.0
O B:TRP56 4.3 81.9 1.0
CD1 B:LEU74 4.4 70.5 1.0
CD2 B:HIS73 4.4 75.5 1.0
C B:LEU74 4.5 64.0 1.0
CG B:HIS73 4.6 73.9 1.0
O B:GLN77 4.8 68.1 1.0
CD2 B:LEU62 4.8 75.7 1.0
CA B:SER54 4.8 74.2 1.0
C B:GLN77 4.9 67.9 1.0
CG B:GLN77 4.9 67.5 1.0

Chlorine binding site 6 out of 10 in 7c3a

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Chlorine binding site 6 out of 10 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1004

b:59.0
occ:1.00
 CA B:GLY239 3.6 99.8 1.0
N B:ILE280 3.6 99.4 1.0
C B:GLY239 3.8 99.9 1.0
CG2 B:ILE280 3.9 97.5 1.0
N B:SER240 3.9 101.9 1.0
CB B:ILE280 3.9 98.5 1.0
CA B:PHE279 4.4 101.4 1.0
CA B:ILE280 4.4 99.4 1.0
CG B:MET305 4.4 96.0 1.0
C B:PHE279 4.5 100.1 1.0
O B:GLY239 4.5 97.9 1.0
O B:SER240 4.7 105.4 1.0
OG1 B:THR266 4.7 107.5 1.0
CA B:SER240 4.7 103.7 1.0
N B:GLY239 4.8 99.5 1.0
C B:SER240 4.9 105.5 1.0
CB B:PHE279 4.9 100.7 1.0
CA B:GLY212 5.0 86.6 1.0

Chlorine binding site 7 out of 10 in 7c3a

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Chlorine binding site 7 out of 10 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1004

b:63.2
occ:1.00
 OG C:SER54 3.3 86.1 1.0
N C:LEU74 3.5 71.8 1.0
SG C:CYS78 3.9 72.5 1.0
CB C:SER54 3.9 86.5 1.0
CB C:GLN77 4.1 66.3 1.0
CB C:LEU74 4.1 69.0 1.0
CA C:HIS73 4.2 82.1 1.0
O C:LEU74 4.2 61.4 1.0
CB C:HIS73 4.2 80.1 1.0
CA C:LEU74 4.3 67.3 1.0
CG C:LEU74 4.3 73.8 1.0
C C:HIS73 4.4 75.3 1.0
CD2 C:LEU62 4.4 109.5 1.0
O C:TRP56 4.5 100.7 1.0
CB C:ALA59 4.6 98.4 1.0
CD2 C:HIS73 4.7 86.1 1.0
CD1 C:LEU74 4.8 75.5 1.0
C C:LEU74 4.8 62.3 1.0
CA C:SER54 4.8 81.9 1.0
CG C:HIS73 4.9 83.4 1.0
O C:GLN77 4.9 65.9 1.0
C C:GLN77 4.9 62.8 1.0
CG C:GLN77 5.0 67.6 1.0
CD1 C:LEU62 5.0 105.3 1.0

Chlorine binding site 8 out of 10 in 7c3a

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Chlorine binding site 8 out of 10 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1005

b:59.5
occ:1.00
 N C:SER19 3.7 59.0 1.0
OG C:SER19 4.1 55.3 1.0
CG1 C:VAL22 4.2 59.8 1.0
CB C:SER19 4.2 56.7 1.0
CA C:LYS18 4.3 64.7 1.0
CD1 C:LEU137 4.4 58.5 1.0
CG2 C:VAL22 4.4 60.4 1.0
C C:LYS18 4.4 60.8 1.0
CA C:SER19 4.6 57.0 1.0
OG1 C:THR191 4.6 65.1 1.0
CG2 C:THR191 4.6 63.6 1.0
CB C:LYS18 4.7 65.4 1.0
O C:ASP17 4.9 71.2 1.0
CB C:THR191 5.0 61.4 1.0
CB C:VAL22 5.0 59.5 1.0

Chlorine binding site 9 out of 10 in 7c3a

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Chlorine binding site 9 out of 10 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1006

b:62.0
occ:1.00
 C C:GLY239 3.9 72.2 1.0
CG2 C:ILE280 3.9 79.1 1.0
O C:GLY239 3.9 69.6 1.0
CA C:GLY239 4.0 72.0 1.0
N C:ILE280 4.1 87.3 1.0
CB C:ILE280 4.2 78.2 1.0
N C:SER240 4.3 74.0 1.0
CG C:MET305 4.5 80.1 1.0
CA C:GLY212 4.6 67.7 1.0
CA C:ILE280 4.8 83.1 1.0
CA C:SER240 4.8 75.1 1.0
CA C:PHE279 4.8 96.2 1.0
OG1 C:THR266 4.9 86.2 1.0
O C:SER240 5.0 79.2 1.0
C C:PHE279 5.0 92.6 1.0

Chlorine binding site 10 out of 10 in 7c3a

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Chlorine binding site 10 out of 10 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1007

b:60.6
occ:1.00
 N C:ASP255 3.8 90.7 1.0
CD1 C:ILE227 3.9 84.6 1.0
CA C:ILE254 4.3 86.3 1.0
CB C:ARG224 4.3 76.2 1.0
CA C:ARG224 4.4 75.0 1.0
CB C:ASP255 4.5 99.4 1.0
CG1 C:ILE254 4.5 82.7 1.0
C C:ILE254 4.6 88.9 1.0
CB C:ILE254 4.6 82.1 1.0
CA C:ASP255 4.7 94.5 1.0
O C:ASP253 4.8 92.1 1.0
CB C:ILE227 4.9 87.5 1.0
CG2 C:ILE227 5.0 92.7 1.0
CG1 C:ILE227 5.0 85.0 1.0
O C:ARG224 5.0 80.8 1.0

Reference:

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.
Page generated: Mon Jul 29 19:25:52 2024

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