Structure of PDB 5yy7 Chain A Binding Site BS02

Receptor Information
>5yy7 Chain A (length=367) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVH
ASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSH
GLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDV
VLRYVSYKEFLPGFERVEDASPLDYGIRRLDHAVGNVPELGPALTYVAGF
TGFHQFASGLNSAVLASNDEMVLLPINEPVHKSQIQTYLEHNEGAGLQHL
ALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQI
KECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEAYQ
SGGCGGFGKGNFSELFK
Ligand information
Ligand ID94L
InChIInChI=1S/C24H22N2O5/c1-13-6-4-7-14(2)21(13)26-23(30)16-12-15(10-11-17(16)25(3)24(26)31)22(29)20-18(27)8-5-9-19(20)28/h4,6-7,10-12,27H,5,8-9H2,1-3H3
InChIKeyIFHRYUOSJUERAZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1C(=O)N(C(=O)c2cc(ccc12)C(=O)C3=C(O)CCCC3=O)c4c(C)cccc4C
OpenEye OEToolkits 2.0.6Cc1cccc(c1N2C(=O)c3cc(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C
FormulaC24 H22 N2 O5
Name3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
ChEMBL
DrugBank
ZINC
PDB chain5yy7 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5yy7 Crystal structure of Arabidopsis thaliana HPPD complexed with Benquitrione (Y13161)
Resolution3.298 Å
Binding residue
(original residue number in PDB)		V207 S246 H287 M314 F360 F398 G399 K400 F403
Binding residue
(residue number reindexed from 1)		V184 S212 H249 M276 F322 F357 G358 K359 F362
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.27: 4-hydroxyphenylpyruvate dioxygenase.
Gene Ontology
Molecular Function
GO:0003868 4-hydroxyphenylpyruvate dioxygenase activity
GO:0005506 iron ion binding
GO:0016701 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0006559 L-phenylalanine catabolic process
GO:0006572 tyrosine catabolic process
GO:0009072 aromatic amino acid metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5yy7, PDBe:5yy7, PDBj:5yy7
PDBsum5yy7
PubMed
UniProtP93836|HPPD_ARATH 4-hydroxyphenylpyruvate dioxygenase (Gene Name=HPD)

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