Zinc in PDB 7zhd: Crystal Structure of Ctaz in Complex with Closthioamide

The structure of Crystal Structure of Ctaz in Complex with Closthioamide, PDB code: 7zhd was solved by F.Gude, E.M.Molloy, T.Horch, M.Dell, K.L.Dunbar, J.Krabbe, M.Groll, C.Hertweck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.64, 40.85, 44.81, 90, 91.64, 90
R / Rfree (%)	17.4 / 19.9

The structure of Crystal Structure of Ctaz in Complex with Closthioamide also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Ctaz in Complex with Closthioamide (pdb code 7zhd). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Ctaz in Complex with Closthioamide, PDB code: 7zhd:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Ctaz in Complex with Closthioamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Ctaz in Complex with Closthioamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn802 b:24.8 occ:1.00 OD1 A:ASP9 1.9 25.3 1.0 OE2 A:GLU11 1.9 24.2 1.0 CG A:ASP9 2.7 24.3 1.0 CD A:GLU11 2.8 24.9 1.0 OD2 A:ASP9 3.0 24.5 1.0 OE1 A:GLU11 3.1 25.9 1.0 CB A:ASP9 4.1 24.2 1.0 CG A:GLU11 4.2 24.6 1.0 O A:ASP9 4.7 24.1 1.0 NE A:ARG84 4.8 32.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Ctaz in Complex with Closthioamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Ctaz in Complex with Closthioamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn803 b:48.0 occ:1.00 OD2 A:ASP54 2.0 43.1 1.0 CG A:ASP54 2.6 41.2 1.0 OD1 A:ASP54 2.7 40.7 1.0 OE1 A:GLN56 2.8 54.8 1.0 CD A:GLN56 3.9 51.8 1.0 CB A:GLN56 4.1 46.1 1.0 CB A:ASP54 4.1 39.1 1.0 CG A:GLN56 4.3 50.6 1.0 N A:GLN56 4.6 40.3 1.0 CA A:ASP54 4.8 38.1 1.0 CA A:GLN56 5.0 44.0 1.0 N A:GLN55 5.0 40.6 1.0

F.Gude, E.M.Molloy, T.Horch, M.Dell, K.L.Dunbar, J.Krabbe, M.Groll, C.Hertweck. A Specialized Polythioamide-Binding Protein Confers Antibiotic Self-Resistance in Anaerobic Bacteria. Angew.Chem.Int.Ed.Engl. V. 61 06168 2022.
ISSN: ESSN 1521-3773
PubMed: 35852818
DOI: 10.1002/ANIE.202206168