Chlorine in PDB 5gs8: Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase

All present enzymatic activity of Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase:
3.5.2.6;

The structure of Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase, PDB code: 5gs8 was solved by J.Wachino, W.Jin, Y.Arakawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.18 / 1.59
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	94.850, 67.930, 45.060, 90.00, 94.17, 90.00
R / Rfree (%)	13.5 / 16

The structure of Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase also contains other interesting chemical elements:

Sodium

(Na)

15 atoms

The binding sites of Chlorine atom in the Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase (pdb code 5gs8). 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-3 Extended-Spectrum Beta-Lactamase, PDB code: 5gs8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase


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-3 Extended-Spectrum Beta-Lactamase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl321 b:52.6 occ:1.00 O A:HOH688 3.2 33.4 1.0 NZ A:LYS99 3.3 25.9 1.0 O A:HOH696 3.3 14.4 1.0 O A:HOH674 3.8 29.1 1.0 O A:HOH645 3.9 43.1 1.0 CE A:LYS99 4.1 17.6 1.0 CD A:LYS99 4.2 14.2 1.0 O A:HOH700 4.3 29.9 1.0 CG A:LYS99 4.9 10.3 1.0 O A:HOH565 4.9 36.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase


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-3 Extended-Spectrum Beta-Lactamase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl322 b:16.0 occ:1.00 N A:LEU189 3.1 14.7 1.0 ND2 A:ASN186 3.3 16.0 1.0 N A:ILE188 3.3 15.0 1.0 O A:PHE183 3.4 13.7 1.0 CA A:ASN186 3.4 14.2 1.0 CB A:ILE188 3.6 15.0 1.0 CA A:ILE188 3.7 14.7 1.0 CB A:LEU189 3.7 15.3 1.0 CD1 A:TYR194 3.8 12.6 1.0 CD1 A:PHE183 3.8 11.4 1.0 N A:GLU187 3.8 15.4 1.0 C A:ASN186 3.8 16.1 1.0 C A:ILE188 3.9 15.4 1.0 CA A:LEU189 3.9 16.5 1.0 CG A:LEU189 4.0 14.7 1.0 CB A:TYR194 4.0 11.4 1.0 CA A:PHE183 4.0 10.9 1.0 C A:PHE183 4.1 12.5 1.0 CG A:ASN186 4.2 16.5 1.0 N A:ASN186 4.2 15.0 1.0 CG A:TYR194 4.2 12.3 1.0 CG1 A:ILE188 4.3 15.2 1.0 O A:LEU189 4.3 17.2 1.0 CB A:ASN186 4.3 15.4 1.0 CE1 A:PHE183 4.4 11.2 1.0 C A:GLU187 4.4 17.1 1.0 CD1 A:LEU189 4.5 13.4 1.0 O A:LYS182 4.5 13.4 1.0 O A:ASN186 4.5 17.8 1.0 C A:LEU189 4.5 17.2 1.0 CG A:PHE183 4.6 10.9 1.0 CD1 A:ILE188 4.7 15.2 1.0 CA A:GLU187 4.7 15.6 1.0 CG2 A:ILE188 4.7 15.1 1.0 CE1 A:TYR194 4.7 12.1 1.0 CB A:PHE183 4.7 10.0 1.0 CA A:TYR194 4.7 10.8 1.0

W.Jin, J.Wachino, Y.Yamaguchi, K.Kimura, A.Kumar, M.Yamada, A.Morinaka, Y.Sakamaki, M.Yonezawa, H.Kurosaki, Y.Arakawa. Structural Insights Into the Tla-3 Extended-Spectrum Beta-Lactamase and Its Inhibition By Avibactam and OP0595. Antimicrob. Agents V. 61 2017CHEMOTHER..
ISSN: ESSN 1098-6596
PubMed: 28739781
DOI: 10.1128/AAC.00501-17