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Ligand · LLK

LLK · (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one

LLK, (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one (C15 H14 O2, 226.3 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 residues it binds most and…

Component
LLK
Formula
C15 H14 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

LLK in 4 structures; the first of them:

  • 4CDL · Crystal Structure of Retro-aldolase RA110.4-6 Complexed with Inhibitor… · LLK A1128 · binds ILE38, GLU39, SER40, PRO41, PHE42, GLN44, PRO45, PRO46 and 6 more
  • 5AN7 · Structure of the engineered retro-aldolase RA95.5-8F with a bound 1,3-diketone inhibitor · LLK A5001 · binds TRP1008, TYR1051, LEU1053, SER1056, PRO1057, LYS1083, PHE1089, ASN1110 and 10 more
  • 4CDL · Crystal structure of retro-aldolase RA110.4-6 complexed with inhibitor… · LLK A1128 · binds ILE38, GLU39, SER40, PRO41, PHE42, GLN44, PRO45, PRO46 and 6 more
  • 5AN7 · Structure of the engineered retro-aldolase RA95.5-8F with a bound 1,3- diketone inhibitor · LLK A5001 · binds TRP1008, TYR1051, LEU1053, SER1056, PRO1057, LYS1083, PHE1089, ASN1110 and 10 more

Residues it binds most

PHE 4, PRO 4, ILE 4, LEU 2, TRP 4, GLU 4, LYS 4, SER 4, TYR 2, ARG 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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