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Ligand · AHE

AHE · 2-amino-4-[1-carboxymethyl-carbamoyl)-2-hydroxymethylsulfanyl-ethylcarbamoyl]-butyric acid

AHE, 2-amino-4-[1-carboxymethyl-carbamoyl)-2-hydroxymethylsulfanyl-ethylcarbamoyl]-butyric acid (C11 H19 N3 O7 S, 337.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
AHE
Formula
C11 H19 N3 O7 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

AHE in 4 structures; the first of them:

  • 1MC5 · Ternary complex of Human glutathione-dependent formaldehyde dehydrogenase with… · AHE A404 · binds CYS44, THR46, TYR49, ASP55, PRO56, GLU57, HIS66, TYR92 and 10 more
  • 3BHM · Crystal structure of human Carbonyl Reductase 1 in complex with S-hydroxymethylglutathione · AHE A304 · binds ALA93, PHE94, LYS95, VAL96, PHE102, GLN105, MET141, SER190 and 5 more
  • 1MC5 · Ternary complex of human glutathione-dependent formaldehyde dehydrogenase with… · AHE A404 · binds CYS44, THR46, TYR49, ASP55, PRO56, GLU57, HIS66, TYR92 and 10 more
  • 3BHM · Crystal structure of human carbonyl reductase 1 in complex with S… · AHE A304 · binds ALA93, PHE94, LYS95, VAL96, PHE102, GLN105, MET141, SER190 and 5 more

Residues it binds most

ALA 4, MET 4, PHE 4, TYR 4, VAL 4, CYS 2, SER 2, THR 2, ARG 2, ASP 2 (residue and the binding sites it lines).

Found with

  • AB3 · 3-(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
  • NAD · Nicotinamide-adenine-dinucleotide
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • K · Potassium ion
  • ZN · Zinc ion
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion

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