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Ligand · L6G

L6G · (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione

L6G, (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione (C21 H29 N5 O3 S3, 495.7 g/mol), in the MolNFT structures on…

Component
L6G
Formula
C21 H29 N5 O3 S3
Class
ligand
Structures
2
PDB entries
1

Binding sites

L6G in 2 structures; the first of them:

  • 4RN0 · Crystal structure of S39D HDAC8 in complex with a largazole analogue. · L6G A501 · binds TYR100, HIS142, HIS143, GLY151, PHE152, ASP178, HIS180, PHE208 and 9 more
  • 4RN0 · Crystal structure of S39D HDAC8 in complex with a largazole analogue. · L6G A501 · binds TYR100, HIS142, HIS143, GLY151, PHE152, ASP178, HIS180, PHE208 and 9 more

Residues it binds most

HIS 4, PHE 4, TYR 4, ASP 4, GLY 4, MET 4, LYS 4, PRO 4, ILE 2, LEU 2 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • ZN · Zinc ion
  • GOL · Glycerol
  • IMD · Imidazole

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