Zinc in PDB 6yen: Crystal Structure of Ampc From E. Coli with Taniborbactam (Vnrx-5133)

All present enzymatic activity of Crystal Structure of Ampc From E. Coli with Taniborbactam (Vnrx-5133):
3.5.2.6;

The structure of Crystal Structure of Ampc From E. Coli with Taniborbactam (Vnrx-5133), PDB code: 6yen was solved by P.A.Lang, J.Brem, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	97.04 / 1.42
Space group	P 43 3 2
Cell size a, b, c (Å), α, β, γ (°)	137.229, 137.229, 137.229, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 16.9

The structure of Crystal Structure of Ampc From E. Coli with Taniborbactam (Vnrx-5133) also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Zinc atom in the Crystal Structure of Ampc From E. Coli with Taniborbactam (Vnrx-5133) (pdb code 6yen). 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 Ampc From E. Coli with Taniborbactam (Vnrx-5133), PDB code: 6yen:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Ampc From E. Coli with Taniborbactam (Vnrx-5133)


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 Ampc From E. Coli with Taniborbactam (Vnrx-5133) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn408 b:19.2 occ:0.33 NE2 A:HIS13 2.0 18.2 1.0 CL A:CL410 2.2 24.3 0.3 CD2 A:HIS13 3.0 19.4 1.0 CE1 A:HIS13 3.1 19.0 1.0 ND1 A:HIS13 4.2 19.6 1.0 CG A:HIS13 4.2 18.7 1.0 O A:HOH789 4.7 38.2 0.3

Zinc binding site 2 out of 2 in the Crystal Structure of Ampc From E. Coli with Taniborbactam (Vnrx-5133)


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 Ampc From E. Coli with Taniborbactam (Vnrx-5133) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn409 b:65.3 occ:0.80 OE1 A:GLU21 2.2 26.9 1.0 O A:HOH775 2.9 45.6 1.0 CD A:GLU21 3.1 24.9 1.0 O A:HOH789 3.1 38.2 0.3 CG2 A:THR17 3.3 21.9 1.0 CG A:GLU21 3.3 25.0 1.0 OE2 A:GLU21 4.2 23.1 1.0 O A:HOH825 4.4 44.5 1.0 O A:THR17 4.7 21.9 1.0 CB A:THR17 4.8 20.2 1.0 CB A:GLU21 4.8 23.5 1.0

P.A.Lang, A.Parkova, T.M.Leissing, K.Calvopina, R.Cain, A.Krajnc, T.D.Panduwawala, J.Philippe, C.W.G.Fishwick, P.Trapencieris, M.G.P.Page, C.J.Schofield, J.Brem. Bicyclic Boronates As Potent Inhibitors of Ampc, the Class C Beta-Lactamase From Escherichia Coli Biomolecules 2020.
ISSN: ESSN 2218-273X
DOI: 10.3390/BIOM10060899