Chlorine in PDB 7jhq: Oxa-48 Bound By Compound 2.3

All present enzymatic activity of Oxa-48 Bound By Compound 2.3:
3.5.2.6;

The structure of Oxa-48 Bound By Compound 2.3, PDB code: 7jhq was solved by D.M.Taylor, L.Hu, B.V.V.Prasad, T.Palzkill, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.84 / 2.00
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	120.68, 120.68, 159.769, 90, 90, 120
R / Rfree (%)	17 / 21.3

The structure of Oxa-48 Bound By Compound 2.3 also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the Oxa-48 Bound By Compound 2.3 (pdb code 7jhq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Oxa-48 Bound By Compound 2.3, PDB code: 7jhq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Oxa-48 Bound By Compound 2.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Oxa-48 Bound By Compound 2.3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:34.8 occ:1.00 O C:HOH554 2.9 39.9 1.0 NH1 C:ARG206 3.1 23.0 1.0 NH2 C:ARG206 3.1 24.5 1.0 CZ C:ARG206 3.5 24.1 1.0 CD2 C:LEU196 4.2 24.5 1.0 CA C:GLN193 4.3 23.7 1.0 CG C:GLN193 4.3 23.3 1.0 CB C:GLN193 4.5 26.5 1.0 CB C:LEU196 4.7 24.3 1.0 O C:GLN193 4.8 25.9 1.0 CG C:LEU196 4.9 25.1 1.0 NE C:ARG206 4.9 23.1 1.0 CD1 C:LEU196 5.0 23.9 1.0

Chlorine binding site 2 out of 2 in the Oxa-48 Bound By Compound 2.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Oxa-48 Bound By Compound 2.3 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl303 b:33.7 occ:1.00 NH2 D:ARG206 3.1 25.5 1.0 NH1 D:ARG206 3.1 24.7 1.0 CZ D:ARG206 3.5 29.6 1.0 CD2 D:LEU196 4.2 25.8 1.0 CA D:GLN193 4.2 23.6 1.0 CG D:GLN193 4.4 33.9 1.0 CB D:GLN193 4.4 27.7 1.0 CB D:LEU196 4.7 23.5 1.0 O D:GLN193 4.8 23.4 1.0 NE D:ARG206 4.8 29.6 1.0 CG D:LEU196 4.9 25.2 1.0

D.M.Taylor, L.Hu, B.V.V.Prasad, T.Palzkill. Oxa-48 Bound By Compound 2.4 Acs Infect Dis. 2021.
ISSN: ESSN 2373-8227
DOI: 10.1021/ACSINFECDIS.1C00501