Chlorine in PDB 7khz: Crystal Structure of Oxa-163 K73A in Complex with Imipenem

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

The structure of Crystal Structure of Oxa-163 K73A in Complex with Imipenem, PDB code: 7khz 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)	44.16 / 2.04
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	44.42, 88.31, 125.35, 90, 90, 90
R / Rfree (%)	18.6 / 23.6

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

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Oxa-163 K73A in Complex with Imipenem (pdb code 7khz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Oxa-163 K73A in Complex with Imipenem, PDB code: 7khz:

Chlorine binding site 1 out of 1 in the Crystal Structure of Oxa-163 K73A in Complex with Imipenem


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Oxa-163 K73A in Complex with Imipenem within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:35.9 occ:0.50 NH2 A:ARG206 3.2 10.4 1.0 NH1 A:ARG206 3.2 10.1 1.0 CZ A:ARG206 3.6 13.3 1.0 CG A:GLN193 4.1 11.2 1.0 CA A:GLN193 4.1 13.6 1.0 CB A:GLN193 4.2 15.8 1.0 O A:HOH438 4.3 29.6 1.0 O A:HOH511 4.5 20.3 1.0 CD2 A:LEU196 4.9 12.3 1.0 N A:GLN193 4.9 13.1 1.0 NE A:ARG206 4.9 8.9 1.0 O A:GLN193 4.9 13.2 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