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Ligand · 8WS

8WS · (2S)-2,6-diacetamido-N-methyl-hexanamide

8WS, (2S)-2,6-diacetamido-N-methyl-hexanamide (C11 H21 N3 O3, 243.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
8WS
Formula
C11 H21 N3 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

8WS in 2 structures; the first of them:

  • 5A5N · Crystal structure of human ATAD2 bromodomain in complex with (2S)-2,6… · 8WS A2111 · binds VAL1008, VAL1013, GLU1017, VAL1018, ASP1020, TYR1021, TYR1063, ASN1064 and 1 more
  • 7ZG2 · BRD4 in complex with Acetyl-Lys · 8WS AAA204 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136 and 4 more

Residues it binds most

VAL 2, TYR 2, ASN 2, ASP 2, ILE 2, LEU 1, CYS 1, GLU 1, MET 1, PHE 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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