Zinc in PDB 7pxp: Benzoylsuccinyl-Coa Thiolase

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

Resolution Low / High (Å)	48.41 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.79, 105.51, 142.54, 90, 92.27, 90
R / Rfree (%)	21.1 / 23.3

The binding sites of Zinc atom in the Benzoylsuccinyl-Coa Thiolase (pdb code 7pxp). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Benzoylsuccinyl-Coa Thiolase, PDB code: 7pxp:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Benzoylsuccinyl-Coa Thiolase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Benzoylsuccinyl-Coa Thiolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:56.6 occ:1.00 SG A:CYS55 2.3 47.2 1.0 SG A:CYS45 2.3 54.4 1.0 SG A:CYS42 2.4 52.2 1.0 SG A:CYS58 2.5 56.5 1.0 CB A:CYS42 3.1 46.5 1.0 CB A:CYS55 3.1 44.3 1.0 CB A:CYS45 3.2 53.3 1.0 CB A:CYS58 3.5 52.6 1.0 N A:CYS45 3.7 55.2 1.0 N A:CYS58 3.8 49.6 1.0 CA A:CYS45 4.0 54.5 1.0 CA A:CYS58 4.2 51.5 1.0 CB A:ASN57 4.5 46.4 1.0 CA A:CYS42 4.6 47.5 1.0 CA A:CYS55 4.6 43.5 1.0 CB A:SER60 4.6 60.4 1.0 ND2 A:ASN57 4.7 53.4 1.0 C A:CYS45 4.7 57.7 1.0 C A:LYS44 4.7 60.3 1.0 C A:ASN57 4.8 51.6 1.0 CB A:GLN47 4.8 49.8 1.0 CB A:LYS44 4.8 59.2 1.0 N A:GLY46 4.8 53.5 1.0 C A:CYS58 4.8 55.3 1.0 N A:TRP59 4.9 50.5 1.0 N A:SER60 4.9 53.9 1.0 N A:GLN47 4.9 50.9 1.0

Zinc binding site 2 out of 4 in the Benzoylsuccinyl-Coa Thiolase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Benzoylsuccinyl-Coa Thiolase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:31.9 occ:1.00 SG B:CYS55 2.4 35.4 1.0 SG B:CYS42 2.4 33.6 1.0 SG B:CYS45 2.4 32.5 1.0 SG B:CYS58 2.4 29.8 1.0 CB B:CYS55 3.1 31.5 1.0 CB B:CYS42 3.1 29.8 1.0 CB B:CYS45 3.2 30.4 1.0 CB B:CYS58 3.5 27.5 1.0 N B:CYS45 3.7 32.9 1.0 N B:CYS58 3.8 29.1 1.0 CA B:CYS45 4.0 32.0 1.0 CA B:CYS58 4.2 28.6 1.0 CB B:SER60 4.5 32.6 1.0 CA B:CYS55 4.6 30.8 1.0 CB B:ASN57 4.6 33.7 1.0 CA B:CYS42 4.6 32.4 1.0 C B:LYS44 4.7 37.9 1.0 ND2 B:ASN57 4.7 36.4 1.0 CB B:LYS44 4.7 36.4 1.0 O B:HOH314 4.8 28.6 1.0 C B:ASN57 4.8 34.2 1.0 C B:CYS58 4.8 36.2 1.0 C B:CYS45 4.8 35.7 1.0 N B:SER60 4.8 29.5 1.0 N B:TRP59 4.9 31.7 1.0 N B:GLY46 4.9 29.9 1.0 CB B:GLN47 4.9 28.4 1.0

Zinc binding site 3 out of 4 in the Benzoylsuccinyl-Coa Thiolase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Benzoylsuccinyl-Coa Thiolase within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn201 b:36.1 occ:1.00 SG E:CYS45 2.2 33.0 1.0 SG E:CYS58 2.4 34.6 1.0 SG E:CYS55 2.4 34.3 1.0 SG E:CYS42 2.4 35.6 1.0 CB E:CYS55 3.2 31.4 1.0 CB E:CYS45 3.2 30.5 1.0 CB E:CYS42 3.2 32.3 1.0 CB E:CYS58 3.4 31.1 1.0 N E:CYS45 3.7 34.5 1.0 N E:CYS58 3.8 30.9 1.0 CA E:CYS45 4.0 32.7 1.0 CA E:CYS58 4.1 31.5 1.0 CB E:SER60 4.6 36.3 1.0 CA E:CYS55 4.6 32.3 1.0 CA E:CYS42 4.7 33.3 1.0 C E:CYS58 4.7 36.8 1.0 C E:CYS45 4.7 38.7 1.0 CB E:GLN47 4.8 36.6 1.0 C E:LYS44 4.8 36.2 1.0 NE2 C:HIS175 4.8 47.4 1.0 N E:TRP59 4.8 34.7 1.0 N E:GLY46 4.9 37.0 1.0 N E:SER60 4.9 33.5 1.0 CB E:LYS44 4.9 36.3 1.0 C E:ASN57 4.9 34.1 1.0

Zinc binding site 4 out of 4 in the Benzoylsuccinyl-Coa Thiolase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Benzoylsuccinyl-Coa Thiolase within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn201 b:49.1 occ:1.00 SG F:CYS45 2.2 51.8 1.0 SG F:CYS58 2.3 45.8 1.0 SG F:CYS55 2.4 41.3 1.0 SG F:CYS42 2.5 47.0 1.0 CB F:CYS45 3.1 50.1 1.0 CB F:CYS55 3.2 38.7 1.0 CB F:CYS42 3.3 42.9 1.0 CB F:CYS58 3.4 42.1 1.0 N F:CYS45 3.7 52.0 1.0 N F:CYS58 3.7 40.7 1.0 CA F:CYS45 3.9 51.4 1.0 CA F:CYS58 4.1 40.7 1.0 CB F:ASN57 4.5 40.9 1.0 ND2 F:ASN57 4.5 46.9 1.0 CB F:SER60 4.6 51.1 1.0 C F:ASN57 4.7 43.3 1.0 CA F:CYS55 4.7 38.0 1.0 C F:CYS45 4.7 54.9 1.0 C F:CYS58 4.7 44.1 1.0 C F:LYS44 4.7 56.3 1.0 CA F:CYS42 4.7 44.6 1.0 CB F:GLN47 4.8 45.0 1.0 N F:TRP59 4.8 38.6 1.0 N F:GLY46 4.9 51.2 1.0 CB F:LYS44 4.9 55.1 1.0 N F:SER60 4.9 44.6 1.0 CA F:ASN57 4.9 39.1 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