Chlorine in PDB 6uqu: Serendipitous Discovery of Aryl Boronic Acids As Beta-Lactamase Inhibitors

Enzymatic activity of Serendipitous Discovery of Aryl Boronic Acids As Beta-Lactamase Inhibitors

All present enzymatic activity of Serendipitous Discovery of Aryl Boronic Acids As Beta-Lactamase Inhibitors:
3.5.2.6;

Protein crystallography data

The structure of Serendipitous Discovery of Aryl Boronic Acids As Beta-Lactamase Inhibitors, PDB code: 6uqu was solved by G.Scapin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.35 / 1.09
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.993, 71.912, 105.129, 90.00, 90.00, 90.00
R / Rfree (%) 12.8 / 14.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Serendipitous Discovery of Aryl Boronic Acids As Beta-Lactamase Inhibitors (pdb code 6uqu). 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 Serendipitous Discovery of Aryl Boronic Acids As Beta-Lactamase Inhibitors, PDB code: 6uqu:

Chlorine binding site 1 out of 1 in 6uqu

Go back to Chlorine Binding Sites List in 6uqu
Chlorine binding site 1 out of 1 in the Serendipitous Discovery of Aryl Boronic Acids As Beta-Lactamase Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Serendipitous Discovery of Aryl Boronic Acids As Beta-Lactamase Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:10.6
occ:1.00
O A:HOH519 3.1 7.9 1.0
O A:HOH824 3.2 30.6 1.0
ND2 A:ASN179 3.2 9.5 1.0
N A:PHE147 3.2 6.4 1.0
O A:HOH631 3.3 17.8 1.0
CA A:GLN146 3.5 6.6 1.0
CB A:GLN146 3.6 8.5 1.0
CD2 A:PHE147 3.8 7.0 1.0
CB A:ASN179 3.8 7.0 1.0
C A:GLN146 3.9 6.2 1.0
CG A:ASN179 3.9 8.0 1.0
CG A:GLN146 4.0 11.5 1.0
CD1 A:PBC401 4.2 9.7 1.0
CB A:PHE147 4.2 7.2 1.0
CE2 A:TYR249 4.3 6.3 1.0
CA A:PHE147 4.3 6.6 1.0
CG A:PHE147 4.5 6.8 1.0
CD A:PRO180 4.5 5.8 1.0
O A:HOH911 4.6 24.6 1.0
O A:PRO243 4.7 6.0 1.0
O A:LEU145 4.7 5.8 1.0
CE2 A:PHE147 4.7 7.9 1.0
OE1 A:GLN146 4.8 24.6 1.0
O A:PHE147 4.8 7.7 1.0
N A:GLN146 4.8 6.0 1.0
CG2 A:PBC401 4.8 9.4 1.0
OH A:TYR249 4.9 7.2 1.0
CD A:GLN146 4.9 17.4 1.0

Reference:

S.W.Yang, J.Pan, Y.Root, G.Scapin, L.Xiao, J.Su. Serendipitous Discovery of Aryl Boronic Acids As Beta-Lactamase Inhibitors. Bioorg.Med.Chem.Lett. 26795 2019.
ISSN: ESSN 1464-3405
PubMed: 31759850
DOI: 10.1016/J.BMCL.2019.126795
Page generated: Sat Dec 12 14:08:46 2020

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