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Structure paper

TitleMolecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
Journal, issue, pagesFEBS J., Vol. 286, Page 975-990, Year 2019
Publish dateNov 29, 2017 (structure data deposition date)
AuthorsLin, H.Y. / Yang, J.F. / Wang, D.W. / Hao, G.F. / Dong, J.Q. / Wang, Y.X. / Yang, W.C. / Wu, J.W. / Zhan, C.G. / Yang, G.F.
External linksFEBS J. / PubMed:30632699
MethodsX-ray diffraction
Resolution2.4 - 2.624 Å
Structure data

PDB-5ywg:
Crystal structure of Arabidopsis thaliana HPPD complexed with Mesotrione
Method: X-RAY DIFFRACTION / Resolution: 2.603 Å

PDB-6isd:
Crystal structure of Arabidopsis thaliana HPPD complexed with sulcotrione
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-6j63:
Crystal structure of Arabidopsis thaliana HPPD complexed with NTBC
Method: X-RAY DIFFRACTION / Resolution: 2.624 Å

Chemicals

ChemComp-CO:
Unknown entry

ChemComp-92L:
2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione

ChemComp-HOH:
WATER

ChemComp-5BQ:
2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione

ChemComp-FE:
Unknown entry

ChemComp-NTD:
2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE

Source
  • arabidopsis thaliana (thale cress)
KeywordsOXIDOREDUCTASE / Dioxygenase / Mesotrione / Tyrosine metabolism / OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / 4-Hydroxyphenylpyruvate dioxygenase / Slow binding inhibitors / drug design / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / nitisinone / type I tyrosinemia / drug discovery

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