Chlorine in PDB 5td3: Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Vietnamiensis

All present enzymatic activity of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Vietnamiensis:
1.13.11.1;

The structure of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Vietnamiensis, PDB code: 5td3 was solved by Seattle Structural 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)	40.51 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	169.410, 55.860, 85.690, 90.00, 116.30, 90.00
R / Rfree (%)	17.7 / 21

The structure of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Vietnamiensis also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Vietnamiensis (pdb code 5td3). 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 Vietnamiensis, PDB code: 5td3:
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 Vietnamiensis


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 Vietnamiensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:27.9 occ:0.86 NE A:ARG128 3.2 29.9 1.0 O A:HOH822 3.5 45.1 1.0 CD A:ARG128 3.8 36.7 1.0 CG A:ARG128 4.2 33.3 1.0 CZ A:ARG128 4.2 35.5 1.0 NH2 A:ARG128 4.3 35.5 1.0 O A:HOH710 4.9 30.8 1.0 O A:HOH656 4.9 35.3 1.0 O A:HOH820 4.9 32.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Vietnamiensis


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 Vietnamiensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:32.2 occ:1.00 O A:HOH798 3.1 32.7 1.0 N A:GLN216 3.3 23.7 1.0 N A:PRO215 3.6 23.0 1.0 CG A:GLN216 3.6 40.2 1.0 CB A:GLN216 3.6 32.5 1.0 CD A:PRO215 3.6 26.7 1.0 C A:PRO214 3.8 23.5 1.0 CB A:PRO214 3.8 19.5 1.0 CG A:PRO215 3.9 32.2 1.0 CA A:GLN216 3.9 24.2 1.0 CA A:PRO214 4.0 18.8 1.0 C A:PRO215 4.3 24.5 1.0 CA A:PRO215 4.4 21.5 1.0 O A:PRO214 4.4 23.5 1.0 N A:GLY217 4.5 17.4 1.0 C A:GLN216 4.5 24.2 1.0 CB A:PRO215 4.7 26.1 1.0 CD A:GLN216 4.9 46.0 1.0

D.G.Conrady, D.M.Dranow, D.Lorimer, T.E.Edwards. Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Vietnamiensis To Be Published.