GL1X · GenesisL1 explorer

Ligand · 1UF

1UF · N-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-L-glutamic acid

1UF, N-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-L-glutamic acid (C19 H18 Cl N5 O6 S, 479.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
1UF
Formula
C19 H18 Cl N5 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1UF in 2 structures; the first of them:

  • 4KY8 · Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH… · 1UF A604 · binds ARG257, LYS284, ALA287, SER290, ILE315, TRP316, ASN319, LEU399 and 10 more
  • 4KY8 · Crystal structure of ts-DHFR from cryptosporidium hominis in complex with NADPH… · 1UF A604 · binds ARG257, LYS284, ALA287, SER290, ILE315, TRP316, ASN319, LEU399 and 10 more

Residues it binds most

ALA 10, ILE 10, LEU 10, MET 10, LYS 10, ASN 10, ASP 10, GLY 10, PHE 10, SER 10 (residue and the binding sites it lines).

Found with

  • MTX · Methotrexate
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • UFP · 5-fluoro-2'-deoxyuridine-5'-monophosphate

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