Chlorine in PDB 5kmu: Ctx-M-9 Beta Lactamase Mutant - T165W

All present enzymatic activity of Ctx-M-9 Beta Lactamase Mutant - T165W:
3.5.2.6;

The structure of Ctx-M-9 Beta Lactamase Mutant - T165W, PDB code: 5kmu was solved by M.Latallo, S.Faham, P.M.Kasson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.95 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.743, 42.212, 68.035, 90.00, 104.52, 90.00
R / Rfree (%)	15.9 / 18.4

The binding sites of Chlorine atom in the Ctx-M-9 Beta Lactamase Mutant - T165W (pdb code 5kmu). 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 Ctx-M-9 Beta Lactamase Mutant - T165W, PDB code: 5kmu:

Chlorine binding site 1 out of 1 in the Ctx-M-9 Beta Lactamase Mutant - T165W


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ctx-M-9 Beta Lactamase Mutant - T165W within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:44.0 occ:1.00 O A:LEU169 2.6 21.7 1.0 O A:HOH427 2.7 21.3 1.0 N A:ALA172 2.8 18.2 1.0 O A:HOH455 3.4 20.7 1.0 CA A:ALA172 3.4 18.2 1.0 N A:THR171 3.5 20.2 1.0 NH2 A:ARG164 3.5 17.8 1.0 C A:LEU169 3.5 21.3 1.0 O A:HOH420 3.7 15.7 1.0 C A:ASN170 3.7 21.4 1.0 C A:THR171 3.9 19.2 1.0 OG1 A:THR171 3.9 20.1 1.0 CA A:ASN170 3.9 21.9 1.0 CB A:PRO67 4.0 16.0 1.0 N A:ASN170 4.1 21.5 1.0 CA A:THR171 4.1 19.8 1.0 O A:ARG178 4.2 17.9 1.0 CB A:ALA172 4.2 18.0 1.0 CB A:ASP179 4.3 17.6 1.0 O A:ASN170 4.4 20.6 1.0 CA A:LEU169 4.6 21.2 1.0 O A:ASP179 4.6 14.9 1.0 OD2 A:ASP179 4.6 18.6 1.0 C A:ALA172 4.6 18.9 1.0 CB A:THR171 4.7 20.4 1.0 CZ A:ARG164 4.7 17.6 1.0 N A:ILE173 4.8 19.1 1.0 CA A:PRO67 4.9 15.9 1.0 O A:THR168 4.9 20.9 1.0 CG A:PRO67 4.9 16.3 1.0 CG A:ASP179 4.9 18.0 1.0 O A:HOH443 5.0 18.9 1.0 O A:THR171 5.0 18.7 1.0

M.J.Latallo, G.A.Cortina, S.Faham, R.K.Nakamoto, P.M.Kasson. Predicting Allosteric Mutants That Increase Activity of A Major Antibiotic Resistance Enzyme. Chem Sci V. 8 6484 2017.
ISSN: ISSN 2041-6520
PubMed: 28989673
DOI: 10.1039/C7SC02676E