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Ligand · PYG

PYG · Benzene-1,2,3-triol

PYG, Benzene-1,2,3-triol (C6 H6 O3, 126.1 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
PYG
Formula
C6 H6 O3
Class
ligand
Structures
7
PDB entries
4

Binding sites

PYG in 7 structures; the first of them:

  • 3HHX · Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP… · PYG A283 · binds LEU77, VAL81, ILE102, GLY104, PRO105, TYR106, TYR162, TYR196 and 6 more
  • 3O6R · Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex… · PYG A258 · binds LEU49, ILE74, GLY76, PRO77, PHE78, TYR134, TYR169, ILE171 and 5 more
  • 4QOM · Bacillus pumilus catalase with pyrogallol bound · PYG A503 · binds ILE99, ARG109, ASP110, PRO111, PHE136, LEU150, GLN159, TYR164 and 2 more
  • 4V4D · Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter… · PYG A905 · binds SER143, HIS144, ARG153, ASP174, SER175, TRP176, ILE225, TYR226 and 5 more
  • 3HHX · Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP… · PYG A283 · binds LEU77, VAL81, ILE102, GLY104, PRO105, TYR106, TYR162, TYR196 and 6 more
  • 3O6R · Crystal structure of 4-chlorocatechol dioxygenase from rhodococcus opacus 1CP in complex… · PYG A258 · binds LEU49, ILE74, GLY76, PRO77, PHE78, TYR134, TYR169, ILE171 and 5 more
  • 4QOM · Bacillus pumilus catalase with pyrogallol bound · PYG A503 · binds ILE99, ARG109, ASP110, PRO111, PHE136, LEU150, GLN159, TYR164 and 2 more

Residues it binds most

PHE 32, TYR 26, ILE 26, HIS 26, ARG 26, VAL 10, SER 12, TRP 12, LEU 14, PRO 22 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion
  • 6PL · (4S,7R)-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
  • HEM · Protoporphyrin IX containing Fe
  • MYY · (2R)-3-(phosphonooxy)-2-(tetradecanoyloxy)propyl palmitate
  • NA · Sodium ion
  • CL · Chloride ion
  • MGD · 2-amino-5,6-dimercapto-7-methyl-3,7,8A,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide
  • SF4 · Iron/sulfur cluster
  • 4MO · Molybdenum(iv) ion
  • CA · Calcium ion

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