Chlorine in PDB 6zxi: Crystal Structure of the Oxa-48 Carbapenem-Hydrolyzing Class D Beta- Lactamase in Complex with the Dbo Inhibitor ANT3310

Enzymatic activity of Crystal Structure of the Oxa-48 Carbapenem-Hydrolyzing Class D Beta- Lactamase in Complex with the Dbo Inhibitor ANT3310

All present enzymatic activity of Crystal Structure of the Oxa-48 Carbapenem-Hydrolyzing Class D Beta- Lactamase in Complex with the Dbo Inhibitor ANT3310:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of the Oxa-48 Carbapenem-Hydrolyzing Class D Beta- Lactamase in Complex with the Dbo Inhibitor ANT3310, PDB code: 6zxi was solved by J.D.Docquier, C.Pozzi, F.De Luca, M.Benvenuti, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.61 / 1.85
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.798, 105.106, 125.426, 90, 90, 90
R / Rfree (%) 17.2 / 21.8

Other elements in 6zxi:

The structure of Crystal Structure of the Oxa-48 Carbapenem-Hydrolyzing Class D Beta- Lactamase in Complex with the Dbo Inhibitor ANT3310 also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Oxa-48 Carbapenem-Hydrolyzing Class D Beta- Lactamase in Complex with the Dbo Inhibitor ANT3310 (pdb code 6zxi). 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 the Oxa-48 Carbapenem-Hydrolyzing Class D Beta- Lactamase in Complex with the Dbo Inhibitor ANT3310, PDB code: 6zxi:

Chlorine binding site 1 out of 1 in 6zxi

Go back to Chlorine Binding Sites List in 6zxi
Chlorine binding site 1 out of 1 in the Crystal Structure of the Oxa-48 Carbapenem-Hydrolyzing Class D Beta- Lactamase in Complex with the Dbo Inhibitor ANT3310


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 the Oxa-48 Carbapenem-Hydrolyzing Class D Beta- Lactamase in Complex with the Dbo Inhibitor ANT3310 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:34.2
occ:1.00
 NH2 B:ARG206 3.1 22.2 1.0
NH2 A:ARG206 3.1 25.4 1.0
NH1 A:ARG206 3.1 23.0 1.0
NH1 B:ARG206 3.1 23.4 1.0
CZ B:ARG206 3.5 24.9 1.0
CZ A:ARG206 3.5 22.6 1.0
CA B:GLN193 4.2 24.6 1.0
CG B:GLN193 4.3 26.9 1.0
CD2 B:LEU196 4.3 26.3 1.0
CA A:GLN193 4.3 24.9 1.0
CG A:GLN193 4.4 26.2 1.0
CB B:GLN193 4.4 24.5 1.0
CD2 A:LEU196 4.5 27.2 1.0
CB A:GLN193 4.5 26.2 1.0
NE B:ARG206 4.8 23.8 1.0
NE A:ARG206 4.8 22.3 1.0
O A:HOH491 4.8 39.2 1.0
CB B:LEU196 4.9 23.1 1.0
O B:GLN193 5.0 24.9 1.0
O B:HOH421 5.0 44.1 1.0
O A:GLN193 5.0 24.7 1.0

Reference:

D.T.Davies, S.Leiris, N.Sprynski, J.Castandet, C.Lozano, J.Bousquet, M.Zalacain, F.Marcoccia, M.Benvenuti, C.Pozzi, S.Mangani, J.D.Docquier, M.Lemonnier, M.Everett. Discovery of Sodium (2R,5R)-2-Fluoro-7-Oxo-1,6-Diazabicyclo[3.2.1]Octan-6-Yl Sulphate (ANT3310), A Novel Broad-Spectrum Serine Beta-Lactamase Inhibitor of the Diazabicyclooctane Class, Differentiated By Additional Activity in Combination with Meropenem Against the Who Priority Pathogens Carbapenem Resistant Acinetobacter Baumannii (Crab) To Be Published.
Page generated: Sat Aug 21 13:09:34 2021

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