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Ligand · GWA

GWA · ~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide

GWA, ~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide (C11 H14 N2 O3, 222.2 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
GWA
Formula
C11 H14 N2 O3
Class
ligand
Structures
7
PDB entries
4

Binding sites

GWA in 7 structures; the first of them:

  • 5QRT · PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with… · GWA A306 · binds SER89, VAL123, ILE125, SER129, PRO130, VAL175
  • 5R4Z · XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in… · GWA A1201 · binds VAL1008, VAL1013, GLU1017, VAL1018, TYR1021, TYR1063, ASN1064, ILE1074
  • 5RB0 · PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM010020a · GWA B1801 · binds VAL1532, VAL1563, ARG1626, ASP1645, HIS1712, CYS1713, PHE1714, ARG1715 and 5 more
  • 5QIA · Pandda analysis group deposition of models with modelled events (E.G. bound ligands)… · GWA A1404 · binds GLY1257, VAL1258, ALA1330, THR1333, GLY1334, PHE1371, LEU1372
  • 5QRT · Pandda analysis group deposition -- crystal structure of human brachyury in complex with… · GWA A306 · binds SER89, VAL123, ILE125, SER129, PRO130, VAL175
  • 5R4Z · Xchem fragment screen -- crystal structure of the bromodomain of the human ATAD2 in… · GWA A1201 · binds VAL1008, VAL1013, GLU1017, VAL1018, TYR1021, TYR1063, ASN1064, ILE1074
  • 5RB0 · Pandda analysis group deposition -- crystal structure of JMJD1B in complex with FM010020A · GWA B1801 · binds VAL1532, VAL1563, ARG1626, ASP1645, HIS1712, CYS1713, PHE1714, SER1475 and 3 more

Residues it binds most

VAL 7, SER 4, ASP 2, GLU 4, GLY 3, ILE 4, TYR 2, ARG 2, PHE 3, ASN 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • CD · Cadmium ion
  • MN · Manganese (II) ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • DMS · Dimethyl sulfoxide

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