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Ligand · J3U

J3U · (6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid

J3U, (6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid (C16 H20 O4, 276.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
J3U
Formula
C16 H20 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

J3U in 2 structures; the first of them:

  • 7EI4 · Crystal structure of MasL in complex with a novel covalent inhibitor, collimonin C · J3U A500 · binds PHE19, VAL89, CYS90, LEU150, HIS158, SER159, PHE237, ALA245 and 11 more
  • 7EI4 · Crystal structure of masl in complex with a novel covalent inhibitor, collimonin C · J3U A500 · binds PHE19, VAL89, CYS90, LEU150, HIS158, PHE237, PRO249, LEU251 and 6 more

Residues it binds most

PHE 8, LEU 8, HIS 8, ALA 8, GLY 8, CYS 8, ARG 8, PRO 8, VAL 8, ILE 5 (residue and the binding sites it lines).

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