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Ligand · F89

F89 · S)-2-(5(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid

F89, S)-2-(5(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid (C27 H24 N4 O6, 500.5 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (6 PDB entries). Every binding site…

Component
F89
Formula
C27 H24 N4 O6
Class
ligand
Structures
12
PDB entries
6

Binding sites

F89 in 12 structures; the first of them:

  • 1F28 · Crystal structure of thymidylate synthase from pneumocystis carinii bound to dump and… · F89 A401 · binds PHE58, GLY61, VAL62, GLU65, ILE84, HIS85, ILE86, TRP87 and 10 more
  • 1SEJ · Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium… · F89 A604 · binds SER290, GLU294, TYR314, ILE315, TRP316, ASN319, LEU399, ASP426 and 7 more
  • 1SYN · E. COLI thymidylate synthase in complex with BW1843U89 and 2'-deoxyuridine… · F89 A301 · binds SER54, GLU58, ASN76, VAL77, THR78, ILE79, TRP80, TRP83 and 10 more
  • 1TLC · Thymidylate synthase complexed with dgmp and folate analog 1843U89 · F89 A266 · binds HIS51, SER54, GLU58, ASN76, VAL77, THR78, ILE79, TRP80 and 10 more
  • 1TSD · Thymidylate synthase complex with 2'-deoxyuridine 5'-monophosphate (dump) and folate… · F89 A268 · binds SER54, GLU58, VAL77, THR78, ILE79, TRP80, TRP83, LEU143 and 8 more
  • 2VF0 · Crystal structure of the thymidylate synthase K48Q complexed with 5NO2DUMP and BW1843U89 · F89 A1266 · binds HIS51, SER54, ILE55, GLU58, VAL77, THR78, ILE79, TRP80 and 10 more
  • 1F28 · Crystal structure of thymidylate synthase from pneumocystis carinii bound to dump and… · F89 A401 · binds PHE58, GLY61, VAL62, GLU65, ILE84, HIS85, ILE86, TRP87 and 10 more
  • 1SEJ · Crystal structure of dihydrofolate reductase-thymidylate synthase from cryptosporidium… · F89 A604 · binds SER290, GLU294, TYR314, ILE315, TRP316, ASN319, LEU399, ASP426 and 7 more
  • 1SYN · E. COLI thymidylate synthase in complex with BW1843U89 and 2'-deoxyuridine… · F89 A301 · binds SER54, GLU58, ASN76, VAL77, THR78, ILE79, TRP80, TRP83 and 10 more
  • 1TLC · Thymidylate synthase complexed with dgmp and folate analog 1843U89 · F89 A266 · binds HIS51, SER54, GLU58, ASN76, VAL77, THR78, ILE79, TRP80 and 10 more

Residues it binds most

LEU 44, ILE 44, ASN 34, VAL 34, PHE 44, SER 44, TYR 44, TRP 34, ASP 44, GLY 34 (residue and the binding sites it lines).

Found with

  • UMP · 2'-deoxyuridine 5'-monophosphate
  • FMT · Formic acid
  • DGP · 2'-deoxyguanosine-5'-monophosphate
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • NDU · 2'-deoxy-5-nitrouridine 5'-monophosphate
  • SO4 · Sulfate ion
  • BME · Beta-mercaptoethanol

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