Ligand · 1UE

1UE · 2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one

1UE, 2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one (C16 H12 N4 O S, 308.4 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…

Component: 1UE
Formula: C16 H12 N4 O S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

1UE in 2 structures; the first of them:

4KY4 · Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii… · 1UE A704 · binds GLU381, ILE402, TRP403, ASN406, LEU486, ASP513, LEU516, GLY517 and 4 more
4KY4 · Crystal structure of non-classical ts inhibitor 2 in complex with toxoplasma gondii… · 1UE A704 · binds GLU381, ILE402, TRP403, ASN406, LEU486, ASP513, LEU516, GLY517 and 4 more

Residues it binds most

LEU 16, ALA 16, ASN 16, ASP 16, GLU 16, GLY 16, ILE 16, MET 16, PHE 16, TRP 16 (residue and the binding sites it lines).

Found with

04J · Aminopterin
NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
UMP · 2'-deoxyuridine 5'-monophosphate

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