Chlorine in PDB 9dr6: Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Zinc Bound)

All present enzymatic activity of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Zinc Bound):
1.13.11.1;

The structure of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Zinc Bound), PDB code: 9dr6 was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.26 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.247, 52.271, 120.634, 90, 92.5, 90
R / Rfree (%)	15.3 / 19.2

The structure of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Zinc Bound) also contains other interesting chemical elements:

Calcium	(Ca)	7 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Zinc Bound) (pdb code 9dr6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Zinc Bound), PDB code: 9dr6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Zinc Bound)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Zinc Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:39.0 occ:1.00 ZN A:ZN402 2.2 21.1 1.0 OH A:TYR200 2.6 21.4 0.4 O A:HOH682 2.7 45.6 1.0 NH1 A:ARG221 3.2 18.7 0.6 NE2 A:HIS226 3.2 15.7 1.0 O A:HOH711 3.4 12.8 1.0 NH1 A:ARG221 3.6 29.7 0.4 CE1 A:HIS226 3.6 17.0 1.0 OH A:TYR164 3.7 17.5 1.0 CZ A:TYR200 3.9 14.7 0.4 CD1 A:LEU109 3.9 28.5 1.0 NE2 A:HIS224 4.0 24.9 1.0 CZ A:TYR164 4.2 16.2 1.0 CD A:PRO108 4.2 16.5 1.0 CG A:LEU109 4.2 19.8 1.0 CA A:GLY107 4.4 14.4 1.0 CD2 A:HIS226 4.4 14.3 1.0 CE1 A:TYR164 4.5 15.3 1.0 CZ A:ARG221 4.5 12.9 0.6 CE2 A:TYR200 4.5 23.4 0.4 CB A:LEU109 4.6 15.6 1.0 CD A:ARG221 4.6 16.9 0.6 CE1 A:HIS224 4.6 18.6 1.0 CD A:ARG221 4.7 26.0 0.4 N A:PRO108 4.7 11.7 1.0 CZ A:ARG221 4.8 32.1 0.4 CE1 A:TYR200 4.9 14.9 0.4 ND1 A:HIS226 4.9 16.7 1.0 O A:GLU106 4.9 13.8 1.0 CE2 A:TYR164 4.9 12.4 1.0 C A:GLY107 4.9 16.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Zinc Bound)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Zinc Bound) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:34.5 occ:1.00 ZN B:ZN402 2.3 22.1 1.0 OH B:TYR200 2.6 21.1 0.6 NH1 B:ARG221 3.1 15.8 0.6 NE2 B:HIS226 3.2 17.3 1.0 O B:HOH601 3.4 13.8 1.0 CE1 B:HIS226 3.6 17.2 1.0 NH1 B:ARG221 3.7 32.5 0.4 OH B:TYR164 3.7 18.1 1.0 NE2 B:HIS224 3.9 17.4 1.0 CZ B:TYR200 3.9 29.4 0.6 CD1 B:LEU109 3.9 24.1 1.0 CD B:PRO108 4.1 16.6 1.0 CZ B:TYR164 4.2 18.9 1.0 CG B:LEU109 4.3 19.3 1.0 CA B:GLY107 4.3 17.5 1.0 CZ B:ARG221 4.4 15.8 0.6 CD2 B:HIS226 4.4 18.3 1.0 CE2 B:TYR200 4.5 20.6 0.6 CE1 B:TYR164 4.5 20.9 1.0 CE1 B:HIS224 4.6 17.2 1.0 CD B:ARG221 4.6 26.1 0.6 CB B:LEU109 4.7 20.1 1.0 N B:PRO108 4.7 14.6 1.0 CD B:ARG221 4.8 11.9 0.4 O B:GLU106 4.8 16.4 1.0 ND1 B:HIS226 4.8 19.9 1.0 C B:GLY107 4.9 16.8 1.0 CZ B:ARG221 4.9 22.4 0.4 CE1 B:TYR200 4.9 27.3 0.6 CE2 B:TYR164 4.9 15.4 1.0 NE B:ARG221 5.0 18.8 0.6 O B:HOH507 5.0 30.9 1.0

L.Liu, P.Enayati, S.Lovell, G.W.Buchko, K.P.Battaile. Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Zinc Bound) To Be Published.