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Ligand · DXT

DXT · (4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12A-pentahydroxy-6-methyl-1,11-dioxo-1,4,4A,5,5A,6,11,12A-octahydrotetracene-2-carboxamide

DXT, (4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12A-pentahydroxy-6-methyl-1,11-dioxo-1,4,4A,5,5A,6,11,12A-octahydrotetracene-2-carboxamide (C22 H24 N2 O8, 444.4 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (7…

Component
DXT
Formula
C22 H24 N2 O8
Class
ligand
Structures
12
PDB entries
7

Binding sites

DXT in 12 structures; the first of them:

  • 5OM3 · Crystal structure of Alpha1-antichymotrypsin variant DBS-I5: a MMP14-cleavable… · DXT B501 · binds LEU273, SER274, PHE277, ASP278, ASP382, HIS383, TRP386
  • 6RBL · TETR(D) E147A mutant in complex with doxycycline and magnesium · DXT A301 · binds LEU60, HIS64, SER67, ASN82, PHE86, HIS100, THR103, ARG104 and 8 more
  • 6RCR · TETR(D) H100A mutant in complex with doxycycline and magnesium · DXT A301 · binds LEU60, HIS64, SER67, ASN82, PHE86, THR103, ARG104, PRO105 and 8 more
  • 6RGX · TETR(D) N82A mutant in complex with doxycycline and magnesium · DXT B301 · binds LEU170, LEU174, LEU60, HIS64, SER67, ALA82, PHE86, HIS100 and 8 more
  • 7B8R · Doxycycline bound structure of bacterial efflux pump. · DXT C901 · binds SER48, GLN176, LEU177, PHE178, GLY179, SER180, GLU273, ASN274 and 5 more
  • 7X5P · Truncated VhChiP (1-19aa) in complex with doxycycline · DXT A401 · binds TRP136, ASP147, TRP331
  • 5OM2 · Crystal structure of ALPHA1-antichymotrypsin variant dbs-I1: a drug- binding serpin for… · DXT B501 · binds VAL31, LEU273, ALA274, PHE277, ASP278, VAL381, ASP382, HIS383 and 1 more
  • 5OM3 · Crystal structure of ALPHA1-antichymotrypsin variant dbs-I5: a MMP14- cleavable… · DXT B501 · binds LEU273, SER274, PHE277, ASP278, ASP382, HIS383, TRP386
  • 6RBL · TETR(D) E147A mutant in complex with doxycycline and magnesium · DXT A301 · binds LEU60, HIS64, SER67, ASN82, PHE86, HIS100, ARG104, PRO105 and 5 more
  • 6RCR · TETR(D) H100A mutant in complex with doxycycline and magnesium · DXT A301 · binds HIS64, SER67, ASN82, PHE86, ARG104, PRO105, GLN109, VAL113 and 3 more
  • 6RGX · TETR(D) N82A mutant in complex with doxycycline and magnesium · DXT B301 · binds LEU170, LEU174, LEU60, HIS64, SER67, ALA82, PHE86, HIS100 and 8 more
  • 7B8R · Doxycycline bound structure of bacterial efflux pump. · DXT C901 · binds SER48, GLN176, LEU177, PHE178, GLY179, SER180, GLU273, ASN274 and 4 more

Residues it binds most

PHE 13, SER 12, LEU 10, ASP 9, GLN 9, HIS 9, ARG 8, TRP 7, VAL 10, ILE 9 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol
  • NA · Sodium ion
  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane
  • EDO · 1,2-ethanediol

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