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Fluorine 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;
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:
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine 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 Fluorine atom.
In total 2 binding sites of Fluorine where 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:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where 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:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 6zxi
Go back to
Fluorine Binding Sites List in 6zxi
Fluorine binding site 1 out
of 2 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
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F 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:
|
Fluorine binding site 2 out of 2 in 6zxi
Go back to
Fluorine Binding Sites List in 6zxi
Fluorine binding site 2 out
of 2 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
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of the Oxa-48 Carbapenem-Hydrolyzing Class D Beta- Lactamase in Complex with the Dbo Inhibitor ANT3310 within 5.0Å range:
|
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: Fri Aug 2 05:27:09 2024
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