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Ligand · YX7

YX7 · [(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid

YX7, [(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid (C9 H19 B N2 O4, 230.1 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
YX7
Formula
C9 H19 B N2 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

YX7 in 1 structure; the first of them:

  • 7MDC · Full-length wildtype ClbP inhibited by hexanoyl-D-asparagine boronic acid · YX7 A609 · binds GLY94, SER95, LYS98, PHE152, LEU155, TYR186, SER188, HIS257 and 8 more

Residues it binds most

GLY 1, ALA 1, PHE 1, SER 1, ASN 1, GLN 1, HIS 1, LEU 1, LYS 1, TRP 1 (residue and the binding sites it lines).

Found with

  • 97N · (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • 2PE · Nonaethylene glycol
  • DMS · Dimethyl sulfoxide

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