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Ligand · BIE

BIE · (3,4-dihydroxy-2-nitrophenyl)(phenyl)methanone

BIE, (3,4-dihydroxy-2-nitrophenyl)(phenyl)methanone (C13 H9 N O5, 259.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
BIE
Formula
C13 H9 N O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

BIE in 2 structures; the first of them:

  • 2CL5 · Catechol-O-methyltransferase in complex with an inhibitor · BIE A1218 · binds TRP38, MET40, LYS46, ASP141, HIS142, TRP143, LYS144, ASP169 and 9 more
  • 2CL5 · Catechol-O-methyltransferase in complex with an inhibitor · BIE A1218 · binds TRP38, MET40, LYS46, ASP141, HIS142, TRP143, LYS144, ASP169 and 9 more

Residues it binds most

TRP 4, ASP 4, LYS 4, MET 4, LEU 4, PRO 4, ASN 4, GLU 4, HIS 4, VAL 2 (residue and the binding sites it lines).

Found with

  • SAM · S-adenosylmethionine
  • MG · Magnesium ion
  • BU3 · (R,R)-2,3-butanediol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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