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Ligand · YTT

YTT · (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione

YTT, (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione (C18 H18 N2 O4, 326.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
YTT
Formula
C18 H18 N2 O4
Class
ligand
Structures
4
PDB entries
4

Binding sites

YTT in 4 structures; the first of them:

  • 8Q6Y · Crystal structure of Cytochrome P450 GymB5 from Streptomyces katrae in complex with cYY… · YTT A502 · binds LEU61, THR76, ILE77, VAL81, VAL82, ASN84, ALA166, PHE167 and 8 more
  • 8TDP · Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic… · YTT A405 · binds MET62, THR77, VAL78, VAL82, VAL83, ASN85, ALA167, PHE168 and 5 more
  • 8TDQ · SFX-XFEL structure of CYP121 cocrystallized with substrate cYY · YTT A406 · binds MET62, THR77, VAL78, VAL82, VAL83, ASN85, ALA167, PHE168 and 5 more
  • 5WP2 · 1.44 ångström crystal structure of CYP121 from mycobacterium tuberculosis in complex with… · YTT A402 · binds MET62, VAL78, VAL82, VAL83, ASN85, ALA167, PHE168, THR229 and 2 more

Residues it binds most

VAL 4, ALA 4, THR 4, ASN 4, MET 4, PHE 4, ARG 3, TRP 3, GLN 2, ILE 1 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion
  • HPA · Hypoxanthine
  • PEO · Hydrogen peroxide
  • CYN · Cyanide ion
  • EDO · 1,2-ethanediol

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