Zinc in PDB 7khq: Crystal Structure of Oxa-48 K73A in Complex with Meropenem

All present enzymatic activity of Crystal Structure of Oxa-48 K73A in Complex with Meropenem:
3.5.2.6;

The structure of Crystal Structure of Oxa-48 K73A in Complex with Meropenem, PDB code: 7khq 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)	34.24 / 2.00
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.285, 105.487, 125.665, 90, 90, 90
R / Rfree (%)	20.7 / 23.6

The structure of Crystal Structure of Oxa-48 K73A in Complex with Meropenem also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Zinc atom in the Crystal Structure of Oxa-48 K73A in Complex with Meropenem (pdb code 7khq). 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-48 K73A in Complex with Meropenem, PDB code: 7khq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Oxa-48 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-48 K73A in Complex with Meropenem within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn304 b:56.6 occ:1.00 CE1 A:HIS38 1.9 36.7 1.0 OE1 A:GLU256 2.2 41.0 1.0 OE2 A:GLU37 2.2 46.1 1.0 NE2 A:HIS38 2.3 41.4 1.0 OE2 A:GLU256 2.3 33.2 1.0 CD A:GLU256 2.6 38.0 1.0 ND1 A:HIS38 3.1 34.4 1.0 CD A:GLU37 3.2 47.5 1.0 CD2 A:HIS38 3.6 36.9 1.0 CG A:GLU37 3.7 41.6 1.0 CG A:HIS38 4.0 33.5 1.0 CG A:GLU256 4.0 30.0 1.0 OE1 A:GLU37 4.3 48.5 1.0 O A:HIS34 4.6 33.7 1.0 CB A:GLU256 4.8 25.9 1.0 ND1 A:HIS34 5.0 32.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Oxa-48 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-48 K73A in Complex with Meropenem within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn304 b:61.6 occ:1.00 OE2 B:GLU37 1.7 54.6 1.0 OE2 B:GLU256 1.7 48.6 1.0 CE1 B:HIS38 2.0 44.7 1.0 NE2 B:HIS38 2.3 43.8 1.0 CD B:GLU256 2.4 42.6 1.0 OE1 B:GLU256 2.6 39.9 1.0 CD B:GLU37 2.7 51.4 1.0 ND1 B:HIS38 3.2 31.9 1.0 OE1 B:GLU37 3.5 53.9 1.0 CD2 B:HIS38 3.5 36.6 1.0 CG B:GLU37 3.6 41.6 1.0 CG B:GLU256 3.9 33.4 1.0 CG B:HIS38 4.0 33.6 1.0 O B:HIS34 4.9 33.7 1.0 CB B:GLU256 4.9 32.4 1.0 CB B:GLU37 5.0 37.6 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