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Ligand · DLU

DLU · (4r,12as)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6, 8-dioxo-3,4,6,8,12,12A-hexahydro-2H-pyrido[1',2':4, 5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide

DLU, (4r,12as)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6, 8-dioxo-3,4,6,8,12,12A-hexahydro-2H-pyrido[1',2':4, 5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide (C20 H19 F2 N3 O5, 419.4 g/mol), in the MolNFT structures on GenesisL1: bound in 7…

Component
DLU
Formula
C20 H19 F2 N3 O5
Class
ligand
Structures
7
PDB entries
6

Binding sites

DLU in 7 structures; the first of them:

  • 6RWN · SIVrcm intasome in complex with dolutegravir · DLU A303 · binds ASP64, ASP116, ASN117, GLY118, TYR143, PRO145, GLN146, GLU152 and 3 more
  • 8FN7 · Structure of WT HIV-1 intasome bound to Dolutegravir · DLU A304 · binds ASP64, CYS65, ASP116, ASN117, GLY118, TYR143, PRO145, GLN146 and 4 more
  • 8FNG · Structure of E138K HIV-1 intasome with Dolutegravir bound · DLU A304 · binds ASP64, CYS65, ASP116, ASN117, GLY118, TYR143, PRO145, GLN146 and 4 more
  • 8W09 · HIV-1 wild-type intasome core · DLU A304 · binds ASP64, ASP116, GLY118, TYR143, PRO145, GLN146, GLU152, DG18 and 2 more
  • 6RWN · Sivrcm intasome in complex with dolutegravir · DLU A303 · binds ASP64, ASP116, PRO145, GLN146, GLU152, DG5, DC20, DA21
  • 6U8Q · Cryoem structure of HIV-1 cleaved synaptic complex (csc) intasome · DLU A303 · binds ASP64, ASP116, PRO145, GLN146, GLU152, DG18, DC20, DA21
  • 6VDK · Cryoem structure of HIV-1 conserved intasome core · DLU A303 · binds ASP64, ASP116, PRO145, GLN146, GLU152, DG18, DC20, DA21 and 1 more

Residues it binds most

ASP 14, DA 14, DC 14, DG 14, GLN 14, GLU 14, PRO 14, GLY 8, TYR 8, ASN 7 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • CL · Chloride ion

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