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Chlorine in PDB 3gcf: Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177

Protein crystallography data

The structure of Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177, PDB code: 3gcf was solved by K.Inoue, H.Nojiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.91 / 2.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 280.002, 161.661, 194.665, 90.00, 118.65, 90.00
R / Rfree (%) 17.4 / 17.5

Other elements in 3gcf:

The structure of Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 also contains other interesting chemical elements:

Iron (Fe) 45 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 34;

Binding sites:

The binding sites of Chlorine atom in the Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 (pdb code 3gcf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 34 binding sites of Chlorine where determined in the Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177, PDB code: 3gcf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 34 in 3gcf

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Chlorine binding site 1 out of 34 in the Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl395

b:48.6
occ:1.00
O A:HOH1516 2.7 52.1 1.0
NH1 A:ARG23 3.4 24.2 1.0
N A:VAL380 3.8 22.0 1.0
CB A:VAL380 4.2 22.0 1.0
CG2 A:VAL380 4.3 21.1 1.0
CA A:GLY379 4.4 21.8 1.0
C A:GLY379 4.6 22.9 1.0
CA A:VAL380 4.6 22.8 1.0
CZ A:ARG23 4.7 25.4 1.0
O A:HOH3561 4.7 41.5 1.0
CD A:ARG23 4.8 23.4 1.0
O A:ARG378 4.9 28.0 1.0
O A:VAL380 5.0 25.8 1.0

Chlorine binding site 2 out of 34 in 3gcf

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Chlorine binding site 2 out of 34 in the Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl396

b:55.1
occ:1.00
O A:HOH2943 3.6 8.5 1.0
N A:THR53 3.8 12.1 1.0
OE1 A:GLU299 3.8 9.8 1.0
O A:THR53 4.1 11.9 1.0
CD A:GLU299 4.2 11.1 1.0
CA A:VAL52 4.2 11.8 1.0
CD1 A:ILE293 4.2 8.1 1.0
O A:HOH400 4.3 20.2 1.0
NH1 A:ARG170 4.3 7.9 1.0
CG1 A:ILE293 4.4 8.9 1.0
CB A:VAL52 4.5 10.8 1.0
C A:VAL52 4.5 12.3 1.0
OE2 A:GLU299 4.6 12.2 1.0
CA A:THR53 4.7 11.8 1.0
CB A:THR53 4.7 12.7 1.0
O A:HOH2942 4.8 11.2 1.0
OG1 A:THR172 4.8 11.2 1.0
CG A:GLU299 4.8 10.4 1.0
C A:THR53 4.9 12.8 1.0
CG1 A:VAL52 4.9 7.9 1.0
O A:ALA51 5.0 11.8 1.0
CB A:GLU299 5.0 8.6 1.0

Chlorine binding site 3 out of 34 in 3gcf

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Chlorine binding site 3 out of 34 in the Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl397

b:33.9
occ:1.00
NH2 A:ARG194 3.6 7.9 1.0
OD1 A:ASN195 3.7 12.6 1.0
NE A:ARG194 3.8 10.3 1.0
O A:HOH2913 4.0 22.7 1.0
CZ A:ARG194 4.2 10.9 1.0
CD1 A:LEU251 4.2 24.7 1.0
CE1 B:PHE89 4.3 14.9 1.0
CZ B:PHE89 4.5 12.9 1.0
CG A:ASN195 4.6 12.5 1.0
CD2 A:LEU251 4.8 27.0 1.0
ND2 A:ASN195 4.8 8.6 1.0
CG A:LEU251 4.9 25.9 1.0
CD A:ARG194 5.0 11.4 1.0

Chlorine binding site 4 out of 34 in 3gcf

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Chlorine binding site 4 out of 34 in the Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl395

b:48.8
occ:1.00
NH1 B:ARG23 3.5 22.8 1.0
N B:VAL380 3.9 22.7 1.0
CB B:VAL380 4.2 21.6 1.0
CG2 B:VAL380 4.2 18.7 1.0
CA B:GLY379 4.6 22.2 1.0
CA B:VAL380 4.6 22.6 1.0
CD B:ARG23 4.7 22.5 1.0
CZ B:ARG23 4.7 24.8 1.0
C B:GLY379 4.7 23.2 1.0
O B:HOH3396 4.9 41.1 1.0

Chlorine binding site 5 out of 34 in 3gcf

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Chlorine binding site 5 out of 34 in the Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl396

b:48.6
occ:1.00
O B:HOH2965 3.5 9.7 1.0
OE1 B:GLU299 3.7 11.7 1.0
N B:THR53 3.8 11.1 1.0
CD B:GLU299 4.1 11.7 1.0
O B:HOH688 4.1 19.6 1.0
CA B:VAL52 4.2 11.6 1.0
NH1 B:ARG170 4.2 8.6 1.0
O B:THR53 4.2 11.7 1.0
CD1 B:ILE293 4.3 10.6 1.0
CB B:VAL52 4.4 10.4 1.0
OE2 B:GLU299 4.4 13.0 1.0
C B:VAL52 4.5 11.7 1.0
CG1 B:ILE293 4.6 10.5 1.0
CG B:GLU299 4.7 11.8 1.0
CA B:THR53 4.8 11.6 1.0
CG1 B:VAL52 4.8 10.1 1.0
CB B:THR53 4.8 12.4 1.0
OG1 B:THR172 4.8 12.7 1.0
O B:HOH2967 4.9 13.0 1.0
CB B:GLU299 4.9 8.6 1.0
C B:THR53 4.9 12.6 1.0
O B:ALA51 5.0 11.0 1.0

Chlorine binding site 6 out of 34 in 3gcf

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Chlorine binding site 6 out of 34 in the Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl397

b:34.3
occ:1.00
NH2 B:ARG194 3.6 9.5 1.0
ND2 B:ASN195 3.8 7.5 1.0
NE B:ARG194 3.9 12.2 1.0
O B:HOH2917 4.1 26.2 1.0
CZ B:ARG194 4.2 12.4 1.0
CD1 B:LEU251 4.2 22.1 1.0
CE1 C:PHE89 4.3 16.6 1.0
CZ C:PHE89 4.6 13.5 1.0
CG B:ASN195 4.7 11.2 1.0
OD1 B:ASN195 4.7 11.1 1.0
CD2 B:LEU251 4.8 26.4 1.0
CG B:LEU251 5.0 24.8 1.0

Chlorine binding site 7 out of 34 in 3gcf

Go back to Chlorine Binding Sites List in 3gcf
Chlorine binding site 7 out of 34 in the Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl395

b:47.7
occ:1.00
NH1 C:ARG23 3.4 23.4 1.0
N C:VAL380 3.8 23.3 1.0
O C:HOH1368 4.2 32.9 1.0
CB C:VAL380 4.2 23.1 1.0
CG2 C:VAL380 4.3 21.4 1.0
CA C:GLY379 4.5 22.8 1.0
CA C:VAL380 4.6 24.2 1.0
CZ C:ARG23 4.6 25.1 1.0
CD C:ARG23 4.6 23.6 1.0
C C:GLY379 4.7 23.8 1.0

Chlorine binding site 8 out of 34 in 3gcf

Go back to Chlorine Binding Sites List in 3gcf
Chlorine binding site 8 out of 34 in the Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl396

b:35.2
occ:1.00
NH2 C:ARG194 3.7 6.3 1.0
OD1 C:ASN195 3.7 10.9 1.0
NE C:ARG194 4.0 11.4 1.0
O C:HOH2921 4.2 22.5 1.0
CD1 C:LEU251 4.2 21.8 1.0
CZ C:ARG194 4.3 9.4 1.0
CE1 A:PHE89 4.3 16.2 1.0
CZ A:PHE89 4.6 14.0 1.0
CG C:ASN195 4.6 11.3 1.0
CD2 C:LEU251 4.7 26.4 1.0
ND2 C:ASN195 4.7 7.8 1.0
CG C:LEU251 4.9 24.5 1.0

Chlorine binding site 9 out of 34 in 3gcf

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Chlorine binding site 9 out of 34 in the Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl395

b:34.0
occ:1.00
O D:HOH3420 3.5 33.8 1.0
OD1 D:ASN195 3.5 17.5 1.0
NH2 D:ARG194 3.6 16.4 1.0
NE D:ARG194 3.6 18.4 1.0
CZ D:ARG194 4.0 19.4 1.0
O E:HOH3645 4.2 43.4 1.0
CD1 D:LEU251 4.2 26.0 1.0
CE1 E:PHE89 4.3 16.4 1.0
CG D:ASN195 4.4 17.9 1.0
ND2 D:ASN195 4.5 15.2 1.0
CZ E:PHE89 4.6 16.1 1.0
CD D:ARG194 4.7 14.1 1.0

Chlorine binding site 10 out of 34 in 3gcf

Go back to Chlorine Binding Sites List in 3gcf
Chlorine binding site 10 out of 34 in the Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Terminal Oxygenase of Carbazole 1,9A-Dioxygenase From Nocardioides Aromaticivorans IC177 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl396

b:38.0
occ:1.00
NH2 D:ARG376 3.0 31.0 1.0
NZ D:LYS227 3.6 13.0 1.0
O A:HOH2944 3.8 39.5 1.0
N D:ASN224 3.8 32.1 1.0
CZ D:ARG376 3.9 28.8 1.0
O A:HOH3094 4.1 41.7 1.0
NH1 D:ARG376 4.1 29.1 1.0
CA D:ASN224 4.5 30.5 1.0
O D:ASP222 4.6 38.4 1.0
CE D:LYS227 4.6 12.2 1.0
CA D:GLU223 4.7 36.5 1.0
C D:GLU223 4.8 34.1 1.0
ND2 D:ASN224 4.8 34.4 1.0
NH1 A:ARG324 4.8 14.8 1.0

Reference:

K.Inoue, Y.Ashikawa, T.Umeda, M.Abo, J.Katsuki, Y.Usami, H.Noguchi, Z.Fujimoto, T.Terada, H.Yamane, H.Nojiri. Specific Interactions Between the Ferredoxin and Terminal Oxygenase Components of A Class Iib Rieske Nonheme Iron Oxygenase, Carbazole 1,9A-Dioxygenase. J.Mol.Biol. V. 392 436 2009.
ISSN: ISSN 0022-2836
PubMed: 19616558
DOI: 10.1016/J.JMB.2009.07.029
Page generated: Sat Dec 12 09:44:07 2020

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