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Ligand · ILV

ILV · (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one

ILV, (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one (C17 H23 N3 O2, 301.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
ILV
Formula
C17 H23 N3 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

ILV in 4 structures; the first of them:

  • 4YLA · Crystal structure of the indole prenyltransferase MpnD complexed with indolactam V and… · ILV A401 · binds ASP4, VAL7, TYR80, VAL81, GLU89, MET159, TYR175, GLY220 and 9 more
  • 4YZL · Crystal structure of the indole prenyltransferase TleC complexed with indolactam V and… · ILV A401 · binds VAL25, ILE26, GLU28, TRP97, VAL98, GLU106, ALA235, ALA236 and 7 more
  • 4YLA · Crystal structure of the indole prenyltransferase mpnd complexed with indolactam V and… · ILV A401 · binds ASP4, VAL7, TYR80, VAL81, GLU89, MET159, TYR175, GLY220 and 9 more
  • 4YZL · Crystal structure of the indole prenyltransferase tlec complexed with indolactam V and… · ILV A401 · binds VAL25, ILE26, GLU28, TRP97, VAL98, GLU106, ALA235, ALA236 and 7 more

Residues it binds most

TYR 4, VAL 4, GLU 4, ALA 2, ASN 4, LYS 4, PHE 4, ASP 2, GLN 2, GLY 2 (residue and the binding sites it lines).

Found with

  • DST · Dimethylallyl S-thiolodiphosphate
  • SO4 · Sulfate ion

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