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Chlorine in PDB 4hbu: Crystal Structure of Ctx-M-15 Extended-Spectrum Beta-Lactamase in Complex with Avibactam (NXL104)

Enzymatic activity of Crystal Structure of Ctx-M-15 Extended-Spectrum Beta-Lactamase in Complex with Avibactam (NXL104)

All present enzymatic activity of Crystal Structure of Ctx-M-15 Extended-Spectrum Beta-Lactamase in Complex with Avibactam (NXL104):
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Ctx-M-15 Extended-Spectrum Beta-Lactamase in Complex with Avibactam (NXL104), PDB code: 4hbu was solved by J.D.Docquier, M.Benvenuti, J.M.Bruneau, G.M.Rossolini, C.Miossec, M.T.Black, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.84 / 1.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.483, 45.686, 117.721, 90.00, 90.00, 90.00
R / Rfree (%) 10.4 / 12.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ctx-M-15 Extended-Spectrum Beta-Lactamase in Complex with Avibactam (NXL104) (pdb code 4hbu). 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 Ctx-M-15 Extended-Spectrum Beta-Lactamase in Complex with Avibactam (NXL104), PDB code: 4hbu:

Chlorine binding site 1 out of 1 in 4hbu

Go back to Chlorine Binding Sites List in 4hbu
Chlorine binding site 1 out of 1 in the Crystal Structure of Ctx-M-15 Extended-Spectrum Beta-Lactamase in Complex with Avibactam (NXL104)


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 Ctx-M-15 Extended-Spectrum Beta-Lactamase in Complex with Avibactam (NXL104) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl312

b:9.2
occ:1.00
O A:HOH467 3.2 11.7 1.0
N A:ALA227 3.3 7.0 1.0
CA A:PRO226 3.8 6.5 1.0
CB A:ALA227 4.0 10.6 1.0
C A:PRO226 4.1 6.2 1.0
CB A:PRO226 4.2 7.6 1.0
CA A:ALA227 4.3 8.4 1.0

Reference:

S.D.Lahiri, S.Mangani, T.Durand-Reville, M.Benvenuti, F.De Luca, G.Sanyal, J.D.Docquier. Structural Insight Into Potent Broad-Spectrum Inhibition with Reversible Recyclization Mechanism: Avibactam in Complex with Ctx-M-15 and Pseudomonas Aeruginosa Ampc Beta-Lactamases Antimicrob.Agents Chemother. V. 57 2496 2013.
ISSN: ISSN 0066-4804
PubMed: 23439634
DOI: 10.1128/AAC.02247-12
Page generated: Sun Jul 21 15:41:04 2024

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