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Chlorine in PDB 5gwa: Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase in A Complex with Avibactam

Enzymatic activity of Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase in A Complex with Avibactam

All present enzymatic activity of Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase in A Complex with Avibactam:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase in A Complex with Avibactam, PDB code: 5gwa 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) 55.48 / 1.59
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 95.939, 68.120, 45.330, 90.00, 94.53, 90.00
R / Rfree (%) 15.9 / 19.2

Other elements in 5gwa:

The structure of Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase in A Complex with Avibactam also contains other interesting chemical elements:

Sodium (Na) 17 atoms

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 2 in 5gwa

Go back to Chlorine Binding Sites List in 5gwa
Chlorine binding site 1 out of 2 in the Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase in A Complex with Avibactam


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 in A Complex with Avibactam within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:29.2
occ:1.00
ND2 A:ASN186 2.9 29.5 1.0
N A:LEU189 3.0 20.5 1.0
O A:PHE183 3.1 17.2 1.0
N A:ILE188 3.2 21.1 1.0
CA A:ASN186 3.3 20.7 1.0
CB A:ILE188 3.5 21.4 1.0
CA A:ILE188 3.6 23.5 1.0
CD1 A:PHE183 3.7 15.1 1.0
C A:ASN186 3.7 22.1 1.0
N A:GLU187 3.7 22.9 1.0
C A:ILE188 3.7 21.0 1.0
CA A:PHE183 3.8 12.8 1.0
CB A:LEU189 3.8 22.0 1.0
CD1 A:TYR194 3.9 17.3 1.0
CG A:ASN186 3.9 27.9 1.0
C A:PHE183 3.9 17.4 1.0
CG A:LEU189 4.0 20.0 1.0
CA A:LEU189 4.0 22.1 1.0
CB A:ASN186 4.1 25.0 1.0
CG1 A:ILE188 4.1 19.1 1.0
N A:ASN186 4.2 18.4 1.0
CE1 A:PHE183 4.3 14.0 1.0
C A:GLU187 4.3 28.4 1.0
CD1 A:LEU189 4.3 18.4 1.0
CB A:TYR194 4.4 18.8 1.0
O A:LYS182 4.4 16.0 1.0
O A:ASN186 4.5 23.4 1.0
CG A:PHE183 4.5 15.0 1.0
CG A:TYR194 4.5 17.0 1.0
CD1 A:ILE188 4.6 16.9 1.0
CB A:PHE183 4.6 13.0 1.0
O A:LEU189 4.6 26.0 1.0
CA A:GLU187 4.6 22.0 1.0
CG2 A:ILE188 4.6 24.6 1.0
CE1 A:TYR194 4.7 18.0 1.0
C A:LEU189 4.7 25.0 1.0
N A:PHE183 4.9 13.4 1.0
O A:ILE188 4.9 32.2 1.0

Chlorine binding site 2 out of 2 in 5gwa

Go back to Chlorine Binding Sites List in 5gwa
Chlorine binding site 2 out of 2 in the Crystal Structure of Tla-3 Extended-Spectrum Beta-Lactamase in A Complex with Avibactam


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 in A Complex with Avibactam within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:26.9
occ:1.00
O A:HOH614 3.0 37.3 1.0
NE2 A:HIS160 3.0 21.4 1.0
N A:TRP93 3.1 11.1 1.0
ND2 A:ASN122 3.5 10.1 1.0
OG1 A:THR92 3.7 13.5 1.0
O A:NXL301 3.7 16.9 1.0
CB A:TRP93 3.7 12.8 1.0
CA A:THR92 3.8 13.3 1.0
NAA A:NXL301 3.9 22.0 1.0
CD2 A:HIS160 3.9 20.6 1.0
C A:THR92 3.9 13.4 1.0
CE1 A:HIS160 4.0 17.9 1.0
C A:NXL301 4.0 19.2 1.0
CA A:TRP93 4.0 10.3 1.0
O2 A:GOL325 4.2 26.9 0.8
CB A:THR92 4.4 13.2 1.0
CAH A:NXL301 4.5 15.7 1.0
CG A:ASN122 4.9 9.8 1.0
O A:ASN91 4.9 25.0 1.0
CB A:NXL301 4.9 13.9 1.0
N A:THR92 4.9 15.6 1.0

Reference:

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
Page generated: Sat Dec 12 11:47:37 2020

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