Chlorine in PDB 7qqc: Structure of Ctx-M-15 K73A Mutant

All present enzymatic activity of Structure of Ctx-M-15 K73A Mutant:
3.5.2.6;

The structure of Structure of Ctx-M-15 K73A Mutant, PDB code: 7qqc was solved by C.L.Tooke, P.Hinchliffe, J.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.91 / 0.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.896, 45.552, 116.705, 90, 90, 90
R / Rfree (%)	14 / 15.6

The binding sites of Chlorine atom in the Structure of Ctx-M-15 K73A Mutant (pdb code 7qqc). 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 Structure of Ctx-M-15 K73A Mutant, PDB code: 7qqc:

Chlorine binding site 1 out of 1 in the Structure of Ctx-M-15 K73A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Ctx-M-15 K73A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:11.8 occ:1.00 H A:ALA227 2.4 12.0 1.0 HA A:PRO226 3.0 11.3 1.0 O A:HOH750 3.0 33.7 1.0 O A:HOH652 3.2 13.6 1.0 N A:ALA227 3.3 10.0 1.0 HB3 A:PRO226 3.5 11.9 1.0 HB3 A:ALA227 3.6 14.9 1.0 HB2 A:ALA227 3.7 14.9 1.0 CA A:PRO226 3.7 9.4 1.0 CB A:ALA227 4.0 12.4 1.0 C A:PRO226 4.0 9.3 1.0 CB A:PRO226 4.1 9.9 1.0 CA A:ALA227 4.2 11.0 1.0 H A:SER228 4.5 13.9 1.0 O A:HOH753 4.6 37.3 1.0 O A:HOH704 4.6 36.0 1.0 O A:HOH650 4.7 30.2 1.0 HB2 A:PRO226 4.7 11.9 1.0 HG3 A:PRO226 4.8 11.8 1.0 HA A:ALA227 4.9 13.2 1.0 HB1 A:ALA227 4.9 14.9 1.0

P.Hinchliffe, C.L.Tooke, C.R.Bethel, B.Wang, C.Arthur, K.J.Heesom, S.Shapiro, D.M.Schlatzer, K.M.Papp-Wallace, R.A.Bonomo, J.Spencer. Penicillanic Acid Sulfones Inactivate the Extended-Spectrum Beta-Lactamase Ctx-M-15 Through Formation of A Serine-Lysine Cross-Link: An Alternative Mechanism of Beta-Lactamase Inhibition. Mbio V. 13 79321 2022.
ISSN: ESSN 2150-7511
PubMed: 35612361
DOI: 10.1128/MBIO.01793-21