Chlorine in PDB 6nvu: Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase in Complex with Clavulanic Acid

All present enzymatic activity of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase in Complex with Clavulanic Acid:
3.5.2.6;

The structure of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase in Complex with Clavulanic Acid, PDB code: 6nvu was solved by E.Rudino-Pinera, V.H.Cifuentes-Castro, C.Rodriguez-Almazan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.18 / 2.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.640, 98.640, 100.400, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 26.6

The structure of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase in Complex with Clavulanic Acid also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase in Complex with Clavulanic Acid (pdb code 6nvu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase in Complex with Clavulanic Acid, PDB code: 6nvu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase in Complex with Clavulanic Acid


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 Tla-1 Extended Spectrum Beta-Lactamase in Complex with Clavulanic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:56.0 occ:1.00 N A:ASP227 3.5 41.5 1.0 CA A:PRO226 4.0 30.1 1.0 CB A:ASP227 4.2 39.1 1.0 CG A:ASP227 4.3 42.4 1.0 C A:PRO226 4.3 35.8 1.0 OD2 A:ASP227 4.3 44.2 1.0 CB A:PRO226 4.4 27.3 1.0 CA A:ASP227 4.5 38.3 1.0 OD1 A:ASP227 4.8 41.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase in Complex with Clavulanic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase in Complex with Clavulanic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:60.0 occ:1.00 O A:HOH531 2.2 53.0 1.0 NE A:ARG140 3.0 52.8 1.0 O A:HOH444 3.5 42.0 1.0 CZ A:ARG140 3.7 57.6 1.0 CD A:ARG140 3.7 40.8 1.0 NH1 A:ARG140 3.7 53.4 1.0 NZ A:LYS98 3.8 51.8 1.0 OE2 A:GLU101 3.9 42.3 1.0 CE A:LYS98 4.0 48.1 1.0 CD A:GLU101 4.2 43.4 1.0 CG A:GLU101 4.3 40.4 1.0 NH2 A:ARG140 4.8 50.1 1.0

V.Cifuentes-Castro, C.Rodriguez-Almazan, J.Silva-Sanchez, E.Rudino-Pinera. The Crystal Structure of Esbl Tla-1 in Complex with Clavulanic Acid Reveals A Second Acylation Site. Biochem.Biophys.Res.Commun. 2019.
ISSN: ESSN 1090-2104
PubMed: 31780261
DOI: 10.1016/J.BBRC.2019.11.138