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Ligand · ML5

ML5 · {(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid

ML5, {(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid (C16 H27 N2 O4 P, 342.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
ML5
Formula
C16 H27 N2 O4 P
Class
ligand
Structures
4
PDB entries
2

Binding sites

ML5 in 4 structures; the first of them:

  • 3V2W · Crystal Structure of a Lipid G protein-Coupled Receptor at 3.35A · ML5 A1201 · binds TYR29, LYS34, TYR98, ASN101, SER105, THR109, TRP117, ARG120 and 15 more
  • 3V2Y · Crystal Structure of a Lipid G protein-Coupled Receptor at 2.80A · ML5 A1201 · binds TYR29, LYS34, TYR98, ASN101, SER105, THR109, TRP117, ARG120 and 16 more
  • 3V2W · Crystal structure of a lipid G protein-coupled receptor at 3.35A · ML5 A1201 · binds TYR29, LYS34, TYR98, ASN101, SER105, THR109, TRP117, ARG120 and 15 more
  • 3V2Y · Crystal structure of a lipid G protein-coupled receptor at 2.80A · ML5 A1201 · binds TYR29, LYS34, TYR98, ASN101, SER105, THR109, TRP117, ARG120 and 16 more

Residues it binds most

LEU 4, PHE 4, GLU 4, THR 4, TRP 4, TYR 4, VAL 4, ARG 4, ASN 4, CYS 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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