Magnesium 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:

Chlorine	(Cl)	1 atom
Zinc	(Zn)	2 atoms

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

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Benzoylsuccinyl-Coa Thiolase with Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:44.9 occ:1.00 N B:ASP45 2.9 29.2 1.0 CG B:ASP45 3.1 39.2 1.0 OD1 B:ASP45 3.1 30.8 1.0 N B:PRO44 3.2 29.4 1.0 O B:HOH666 3.3 52.3 1.0 CD B:PRO44 3.3 31.6 1.0 O10 B:PE8404 3.4 71.3 0.5 C B:ARG43 3.4 32.8 1.0 OD2 B:ASP45 3.5 32.9 1.0 CB B:ASP45 3.6 35.7 1.0 CA B:ARG43 3.6 34.9 1.0 CA B:ASP45 3.8 29.5 1.0 C12 B:PE8404 3.8 70.8 0.5 CB B:ARG43 3.8 34.1 1.0 C B:PRO44 3.9 31.2 1.0 CA B:PRO44 3.9 30.7 1.0 O B:ARG43 4.1 30.0 1.0 C11 B:PE8404 4.1 71.6 0.5 C9 B:PE8404 4.1 70.6 0.5 CB B:PRO44 4.2 32.2 1.0 CG B:PRO44 4.3 37.2 1.0 C8 B:PE8404 4.3 68.5 0.5 CG B:ARG43 4.7 42.4 1.0 C B:ASP45 4.7 32.1 1.0 N B:MET46 4.8 27.5 0.5 N B:MET46 4.9 29.0 0.5 O7 B:PE8404 5.0 64.9 0.5 N B:ARG43 5.0 34.5 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