Zinc in PDB 7khy: Crystal Structure of Oxa-163 K73A in Complex with Meropenem

All present enzymatic activity of Crystal Structure of Oxa-163 K73A in Complex with Meropenem:
3.5.2.6;

The structure of Crystal Structure of Oxa-163 K73A in Complex with Meropenem, PDB code: 7khy was solved by T.Palzkill, L.Hu, B.V.V.Prasad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.90 / 1.84
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	44.33, 87.8, 124.95, 90, 90, 90
R / Rfree (%)	19.2 / 24

The structure of Crystal Structure of Oxa-163 K73A in Complex with Meropenem also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Oxa-163 K73A in Complex with Meropenem (pdb code 7khy). 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 Oxa-163 K73A in Complex with Meropenem, PDB code: 7khy:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Oxa-163 K73A in Complex with Meropenem


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 Oxa-163 K73A in Complex with Meropenem within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn305 b:60.8 occ:1.00 OE1 A:GLU252 2.2 35.4 1.0 OE2 A:GLU252 2.2 37.3 1.0 NE2 A:HIS38 2.3 31.2 1.0 CD A:GLU252 2.5 32.5 1.0 CE1 A:HIS38 2.5 31.4 1.0 O A:HOH401 3.2 34.7 1.0 CD2 A:HIS38 3.6 27.9 1.0 ND1 A:HIS38 3.7 27.4 1.0 OE1 A:GLU37 3.8 46.1 1.0 CG A:GLU252 3.9 30.4 1.0 CG A:HIS38 4.3 24.6 1.0 CB A:GLU252 4.7 28.4 1.0 CB A:GLU37 4.8 28.5 1.0 O A:HIS34 4.8 23.4 1.0 O A:HOH541 4.9 40.8 1.0 CD A:GLU37 4.9 44.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Oxa-163 K73A in Complex with Meropenem


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 Oxa-163 K73A in Complex with Meropenem within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn306 b:50.9 occ:1.00 NE2 A:HIS182 2.3 30.3 1.0 O A:HOH535 2.4 30.1 1.0 CD2 A:HIS182 3.2 32.2 1.0 CE1 A:HIS182 3.3 31.6 1.0 O A:HOH511 4.2 31.1 1.0 ND1 A:HIS182 4.4 35.0 1.0 CG A:HIS182 4.4 25.6 1.0

V.Stojanoski, L.Hu, B.Sankaran, F.Wang, P.Tao, B.V.V.Prasad, T.Palzkill. Mechanistic Basis of Oxa-48-Like Beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis. 2021.
ISSN: ESSN 2373-8227
PubMed: 33492952
DOI: 10.1021/ACSINFECDIS.0C00798