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Ligand · 2I4

2I4 · 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid

2I4, 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid (C36 H56 O6, 584.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site…

Component
2I4
Formula
C36 H56 O6
Class
ligand
Structures
2
PDB entries
2

Binding sites

2I4 in 2 structures; the first of them:

  • 9D6C · Gag CA-SP1 immature lattice bound with Lenacapavir and Bevirimat from enveloped virus… · 2I4 B302 · binds LEU231, MET235, ILE239, LEU231, MET235
  • 9D6E · Gag CA-SP1 immature lattice bound with Bevirimat from enveloped virus like particles · 2I4 P301 · binds ILE231, MET235, ILE231, MET235, ILE231, MET235, ILE231, MET235 and 7 more

Residues it binds most

MET 8, LEU 7, ILE 8, LYS 2, THR 1 (residue and the binding sites it lines).

Found with

  • IHP · Inositol hexakisphosphate
  • QNG · N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2, 2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bs,4ar)-5,5-difluoro-3-(trifluoromethyl)-3B,4,4A,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide

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