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Ligand · NXL

NXL · (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide

NXL, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide (C7 H13 N3 O6 S, 267.3 g/mol), in the MolNFT structures on GenesisL1: bound in 31 records (31 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
NXL
Formula
C7 H13 N3 O6 S
Class
ligand
Structures
31
PDB entries
31

Binding sites

NXL in 31 structures; the first of them:

  • 5MNU · OXA-10 Avibactam complex with bound bromide · NXL A301 · binds ALA66, SER67, LYS70, MET99, TRP102, SER115, VAL117, LEU155 and 5 more
  • 5MOX · OXA-10 Avibactam complex with bound CO2 · NXL A301 · binds ALA66, SER67, LYS70, MET99, TRP102, SER115, VAL117, LEU155 and 5 more
  • 5NE3 · L2 class A serine-beta-lactamase complexed with avibactam · NXL A301 · binds CYS68, SER69, LYS72, HIS104, SER129, ASN131, GLU165, ASN169 and 5 more
  • 5ZA2 · Fox-4 beta-lactamase complexed with avibactam · NXL A401 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, TYR222 and 6 more
  • 6BPF · CTX-M-151 class A extended-spectrum beta-lactamase crystal structure in complex with… · NXL A301 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 7 more
  • 6FJ1 · Structure of the Ldtfm-avibactam carbamoyl enzyme · NXL A502 · binds LEU395, LYS396, GLY397, TYR403, SER405, GLY417, VAL418, HIS421 and 6 more
  • 6FM7 · Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes in… · NXL A401 · binds GLY61, SER62, LYS65, LEU117, GLN118, TYR148, ASN150, TYR220 and 7 more
  • 6G9F · Structural basis for the inhibition of E. coli PBP2 · NXL A1330 · binds ALA329, SER330, LYS333, TRP370, SER387, ASP389, ILE453, GLN455 and 5 more
  • 6MZ1 · CTX-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3 · NXL A301 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 6 more
  • 6MZ2 · CTX-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 7.9 · NXL A301 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 6 more
  • 6O9W · Crystal structure of Staphylococcus aureus BlaR1 antibiotic-sensor domain in complex with… · NXL A601 · binds ASN388, SER389, LYS392, SER437, ASN439, MET476, LYS526, THR527 and 7 more
  • 6TBW · Crystal structure of AmpC from E.coli with Avibactam · NXL A402 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, SER287 and 8 more
  • 6W2Z · Crystal Structure of the Beta Lactamase Class A PenP from Bacillus subtilis in the… · NXL A401 · binds ALA88, SER89, LYS92, TYR122, SER147, ASN149, GLU183, ASN187 and 6 more
  • 7KEP · avibactam-CDD-1 2 minute complex · NXL A401 · binds CYS101, SER102, KCX105, SER150, VAL152, LEU200, LYS251, THR252 and 4 more
  • 7KEQ · avibactam-CDD-1 6 minute complex · NXL A401 · binds CYS101, SER102, KCX105, SER150, VAL152, LYS192, LEU200, LYS251 and 5 more
  • 7LNQ · Structure of the avibactam-CDD-1 3 minute complex in imidazole and MPD · NXL A401 · binds CYS101, SER102, KCX105, SER150, VAL152, LYS192, LEU200, LYS251 and 5 more
  • 7MEB · CDD-1 beta-lactamase in imidazole/MPD 2 minute avibactam complex · NXL A401 · binds CYS101, SER102, KCX105, SER150, VAL152, LYS192, LEU200, LYS251 and 5 more
  • 7MEC · CDD-1 beta-lactamase in imidazole/MPD 4 minute avibactam complex · NXL A401 · binds CYS101, SER102, KCX105, SER150, VAL152, LYS192, LEU200, LYS251 and 5 more
  • 7MED · CDD-1 beta-lactamase in imidazole/MPD 5 minute avibactam complex · NXL A401 · binds CYS101, SER102, KCX105, SER150, VAL152, LYS192, LEU200, LYS251 and 5 more
  • 7MEE · CDD-1 beta-lactamase in imidazole/MPD 6 minute avibactam complex · NXL A401 · binds CYS101, SER102, LYS105, SER150, VAL152, LYS192, LEU200, LYS251 and 5 more
  • 7MEF · CDD-1 beta-lactamase in imidazole/MPD 10 minute avibactam complex · NXL A401 · binds CYS101, SER102, LYS105, SER150, VAL152, LYS192, LEU200, LYS251 and 5 more
  • 7MEG · CDD-1 beta-lactamase in imidazole/MPD 30 minute avibactam complex · NXL A401 · binds CYS101, SER102, LYS105, SER150, VAL152, LYS192, LEU200, LYS251 and 5 more
  • 7MEH · CDD-1 beta-lactamase in imidazole/MPD 60 minute avibactam complex · NXL A401 · binds CYS101, SER102, LYS105, SER150, VAL152, LYS192, LEU200, LYS251 and 5 more
  • 8B3M · Millisecond cryo-trapping by the spitrobot crystal plunger, CTXM-14 Avibactam complex… · NXL A301 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 6 more
  • 8DE0 · TEM-1 beta-lactamase covalently bound to avibactam · NXL A301 · binds MET69, SER70, LYS73, TYR105, SER130, ASN132, GLU166, ASN170 and 6 more
  • 8DE1 · TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam · NXL A301 · binds MET69, SER70, LYS73, TYR105, SER130, ASN132, GLU166, ASN170 and 6 more

Residues it binds most

SER 50, LYS 50, GLY 50, ASN 34, THR 37, TYR 28, VAL 32, CYS 24, LEU 24, GLU 24 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • CO2 · Carbon dioxide
  • NA · Sodium ion
  • GOL · Glycerol
  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol
  • FYG · (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
  • K · Potassium ion
  • CL · Chloride ion
  • IMD · Imidazole
  • P3G · 3,6,9,12,15-pentaoxaheptadecane

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