Chlorine in PDB 7aux: Crystal Structure of Oxa-48 Beta-Lactamase in the Complex with the Inhbitor ID2

All present enzymatic activity of Crystal Structure of Oxa-48 Beta-Lactamase in the Complex with the Inhbitor ID2:
3.5.2.6;

The structure of Crystal Structure of Oxa-48 Beta-Lactamase in the Complex with the Inhbitor ID2, PDB code: 7aux was solved by G.Pochetti, R.Montanari, D.Capelli, B.Garofalo, R.Ombrato, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.88 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.41, 72.63, 125.66, 90, 90, 90
R / Rfree (%)	20.6 / 24.6

The binding sites of Chlorine atom in the Crystal Structure of Oxa-48 Beta-Lactamase in the Complex with the Inhbitor ID2 (pdb code 7aux). 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-48 Beta-Lactamase in the Complex with the Inhbitor ID2, PDB code: 7aux:

Chlorine binding site 1 out of 1 in the Crystal Structure of Oxa-48 Beta-Lactamase in the Complex with the Inhbitor ID2


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-48 Beta-Lactamase in the Complex with the Inhbitor ID2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:29.8 occ:1.00 NH2 A:ARG206 3.0 17.4 1.0 NH1 B:ARG206 3.1 15.8 1.0 O B:HOH504 3.1 33.5 1.0 NH1 A:ARG206 3.1 14.3 1.0 NH2 B:ARG206 3.2 17.8 1.0 CZ A:ARG206 3.5 18.0 1.0 CZ B:ARG206 3.5 18.3 1.0 CA B:GLN193 4.2 20.3 1.0 CD2 B:LEU196 4.2 14.9 1.0 CG B:GLN193 4.3 23.9 1.0 CA A:GLN193 4.3 18.8 1.0 CD2 A:LEU196 4.4 16.5 1.0 CG A:GLN193 4.4 18.9 1.0 CB B:GLN193 4.4 24.8 1.0 CB A:GLN193 4.5 22.2 1.0 O B:GLN193 4.7 19.1 1.0 CB B:LEU196 4.7 15.8 1.0 NE A:ARG206 4.8 16.2 1.0 CB A:LEU196 4.8 18.8 1.0 NE B:ARG206 4.9 17.8 1.0 O A:GLN193 4.9 19.4 1.0 CG B:LEU196 4.9 16.5 1.0

B.Garofalo, F.Prati, R.Buonfiglio, I.Coletta, N.D'atanasio, A.Molteni, D.Carettoni, V.Wanke, G.Pochetti, R.Montanari, D.Capelli, C.Milanese, F.P.Di Giorgio, R.Ombrato. Discovery of Novel Chemical Series of Oxa-48 Beta-Lactamase Inhibitors By High-Throughput Screening. Pharmaceuticals V. 14 2021.
ISSN: ESSN 1424-8247
PubMed: 34202402
DOI: 10.3390/PH14070612