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Ligand · KEK

KEK · (3E,5R)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoate

KEK, (3E,5R)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoate (C15 H14 Cl O4 -1, 293.7 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
KEK
Formula
C15 H14 Cl O4 -1
Class
ligand
Structures
2
PDB entries
1

Binding sites

KEK in 2 structures; the first of them:

  • 2WUE · Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with… · KEK B1289 · binds GLY44, GLY45, GLY46, ALA49, ASN54, ASN113, ALA114, LEU115 and 10 more
  • 2WUE · Crystal structure of S114A mutant of hsad from mycobacterium tuberculosis in complex with… · KEK B1289 · binds GLY44, GLY45, GLY46, ALA49, ASN54, ASN113, ALA114, LEU115 and 10 more

Residues it binds most

GLY 2, ALA 2, ASN 2, LEU 2, MET 2, PHE 2, VAL 2, HIS 2, TRP 2 (residue and the binding sites it lines).

Found with

  • SCN · Thiocyanate ion

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