Chlorine in PDB 8ela: Ctx-M-14 Beta-Lactamase Mutant - N132A W Mes

All present enzymatic activity of Ctx-M-14 Beta-Lactamase Mutant - N132A W Mes:
3.5.2.6;

The structure of Ctx-M-14 Beta-Lactamase Mutant - N132A W Mes, PDB code: 8ela was solved by S.Lu, T.Palzkill, L.Hu, B.V.V.Prasad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.66 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	59.314, 60.43, 264.216, 90, 90, 90
R / Rfree (%)	17.3 / 20.9

The structure of Ctx-M-14 Beta-Lactamase Mutant - N132A W Mes also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Ctx-M-14 Beta-Lactamase Mutant - N132A W Mes (pdb code 8ela). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ctx-M-14 Beta-Lactamase Mutant - N132A W Mes, PDB code: 8ela:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ctx-M-14 Beta-Lactamase Mutant - N132A W Mes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ctx-M-14 Beta-Lactamase Mutant - N132A W Mes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:17.7 occ:1.00 ZN A:ZN303 2.2 16.2 1.0 O A:HOH539 3.2 12.3 1.0 C A:CYS69 3.3 13.8 1.0 OE2 A:GLU166 3.3 13.1 1.0 OD1 A:ASN170 3.4 9.9 1.0 N A:SER70 3.4 11.6 1.0 O2 A:SO4302 3.5 12.2 1.0 NZ A:LYS73 3.5 10.4 1.0 CA A:SER70 3.6 10.2 1.0 OE1 A:GLU166 3.6 11.6 1.0 CB A:LEU169 3.6 13.2 1.0 O A:CYS69 3.6 13.1 1.0 CG A:ASN170 3.7 16.4 1.0 ND2 A:ASN170 3.7 15.3 1.0 CD A:GLU166 3.8 12.1 1.0 O1 A:SO4302 3.8 11.9 1.0 CA A:CYS69 3.9 15.4 1.0 OG A:SER70 4.0 11.8 1.0 S A:SO4302 4.0 21.4 1.0 C A:LEU169 4.0 13.4 1.0 O A:LEU169 4.1 14.7 1.0 O3 A:SO4302 4.1 14.9 1.0 CB A:SER70 4.2 11.0 1.0 N A:ASN170 4.2 13.1 1.0 CA A:LEU169 4.5 11.4 1.0 CB A:CYS69 4.5 15.1 1.0 CA A:ASN170 4.5 12.9 1.0 CD1 A:LEU169 4.6 11.1 1.0 CB A:ASN170 4.7 13.8 1.0 CG A:LEU169 4.7 10.4 1.0 C A:SER70 4.8 10.6 1.0 O A:HOH471 4.9 16.6 1.0

Chlorine binding site 2 out of 2 in the Ctx-M-14 Beta-Lactamase Mutant - N132A W Mes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ctx-M-14 Beta-Lactamase Mutant - N132A W Mes within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:14.3 occ:1.00 ZN B:ZN303 2.2 14.3 1.0 O B:HOH531 3.3 13.6 1.0 C B:CYS69 3.4 14.4 1.0 N B:SER70 3.4 11.5 1.0 OD1 B:ASN170 3.4 13.4 1.0 CA B:SER70 3.5 11.2 1.0 NZ B:LYS73 3.5 12.1 1.0 O3 B:SO4302 3.5 16.9 1.0 OE1 B:GLU166 3.6 15.8 1.0 ND2 B:ASN170 3.6 17.6 1.0 CG B:ASN170 3.7 18.3 1.0 OE2 B:GLU166 3.7 10.8 1.0 O B:CYS69 3.7 14.6 1.0 CB B:LEU169 3.7 15.2 1.0 O4 B:SO4302 3.8 17.7 1.0 OG B:SER70 3.8 12.2 1.0 CA B:CYS69 3.8 15.8 1.0 S B:SO4302 3.9 13.5 1.0 CD B:GLU166 3.9 13.7 1.0 O2 B:SO4302 4.0 20.9 1.0 CB B:SER70 4.1 11.6 1.0 C B:LEU169 4.1 15.2 1.0 CB B:CYS69 4.2 16.2 1.0 O B:LEU169 4.2 16.6 1.0 N B:ASN170 4.2 15.0 1.0 CA B:ASN170 4.5 16.0 1.0 CA B:LEU169 4.6 14.9 1.0 CD1 B:LEU169 4.6 15.0 1.0 CB B:ASN170 4.7 15.0 1.0 C B:SER70 4.8 10.8 1.0 CG B:LEU169 4.8 15.5 1.0 O B:HOH439 4.9 17.1 1.0 CE B:LYS73 5.0 10.5 1.0

S.Lu, M.Montoya, L.Hu, N.Neetu, B.Sankaran, B.V.V.Prasad, T.Palzkill. Mutagenesis and Structural Analysis Reveal the Ctx-M Beta-Lactamase Active Site Is Optimized For Cephalosporin Catalysis and Drug Resistance. J.Biol.Chem. 04630 2023.
ISSN: ESSN 1083-351X
PubMed: 36963495
DOI: 10.1016/J.JBC.2023.104630