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Ligand · 611

611 · N-[(E)-3-[(2R,3S,4R,5S)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide

611, N-[(E)-3-[(2R,3S,4R,5S)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide (C19 H19 N3 O8 S, 449.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
611
Formula
C19 H19 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

611 in 2 structures; the first of them:

  • 3OE5 · Rat catechol O-methyltransferase in complex with a catechol-type… · 611 A223 · binds TRP38, MET40, LYS46, GLY66, ALA67, TYR68, MET89, GLU90 and 15 more
  • 3OE5 · Rat catechol O-methyltransferase in complex with a catechol-type… · 611 A223 · binds TRP38, MET40, LYS46, GLY66, ALA67, TYR68, MET89, GLU90 and 15 more

Residues it binds most

ALA 2, ASN 2, ASP 2, GLU 2, GLY 2, LYS 2, MET 2, TRP 2, CYS 2, HIS 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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