Chlorine in PDB 7pyt: Benzoylsuccinyl-Coa Thiolase with Coenzyme A

The structure of Benzoylsuccinyl-Coa Thiolase with Coenzyme A, PDB code: 7pyt was solved by U.Ermler, J.Heider, S.Weidenweber, U.Demmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.67 / 1.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	117.34, 117.34, 228, 90, 90, 90
R / Rfree (%)	15.8 / 18.1

The structure of Benzoylsuccinyl-Coa Thiolase with Coenzyme A also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Benzoylsuccinyl-Coa Thiolase with Coenzyme A (pdb code 7pyt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Benzoylsuccinyl-Coa Thiolase with Coenzyme A, PDB code: 7pyt:

Chlorine binding site 1 out of 1 in the Benzoylsuccinyl-Coa Thiolase with Coenzyme A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Benzoylsuccinyl-Coa Thiolase with Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:53.5 occ:1.00 OH D:TYR144 3.1 36.5 1.0 O D:HOH565 3.2 50.9 1.0 N D:GLY371 3.3 29.4 1.0 ND1 D:HIS378 3.4 31.9 1.0 CA D:GLY371 3.6 35.2 1.0 C D:GLY370 3.6 28.9 1.0 OG1 D:THR369 3.7 30.3 1.0 N D:GLY370 3.8 36.0 1.0 S1P D:COA401 3.8 46.6 1.0 CA D:GLY370 4.0 30.4 1.0 CE D:MET140 4.0 37.2 1.0 CZ D:TYR144 4.0 33.5 1.0 CE1 D:TYR144 4.0 32.6 1.0 CE1 D:HIS378 4.1 29.1 1.0 O D:GLY370 4.2 30.2 1.0 CE1 D:HIS281 4.3 45.9 1.0 CB D:THR369 4.5 25.0 1.0 CG D:HIS378 4.6 31.5 1.0 C D:GLY371 4.7 30.5 1.0 NE2 D:HIS281 4.8 42.8 1.0 O D:HOH670 4.8 34.6 1.0 CB D:HIS378 4.9 26.9 1.0 SG D:CYS85 4.9 36.5 1.0 O D:GLU377 4.9 29.9 1.0 O D:HOH524 4.9 39.2 1.0 ND1 D:HIS281 4.9 49.8 1.0 C D:THR369 4.9 32.3 1.0

S.Weidenweber, K.Schuhle, M.L.Lippert, J.Mock, A.Seubert, U.Demmer, U.Ermler, J.Heider. Finis Tolueni: A New Type of Thiolase with An Integrated Zn-Finger Subunit Catalyzes the Final Step of Anaerobic Toluene Metabolism. Febs J. V. 289 5599 2022.
ISSN: ISSN 1742-464X
PubMed: 35313080
DOI: 10.1111/FEBS.16443