Structure of PDB 5ywh Chain A Binding Site BS02

Receptor Information
>5ywh Chain A (length=372) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSKFVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDL
STGNMVHASYLLTSGDLRFLFTAPYSPSLSTTASIPSFDHGSCRSFFSSH
GLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDV
VLRYVSYKAFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVA
GFTGFHQFAEFSGLNSAVLASNDEMVLLPINEPVHGKSQIQTYLEHNEGA
GLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVL
SDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMQ
SGGCGGFGKGNFSELFKSIEEY
Ligand information
Ligand ID92U
InChIInChI=1S/C15H18N4O4S/c1-4-18-12-7-6-10(8-13(12)19(5-2)24(18,22)23)14(20)11-9-16-17(3)15(11)21/h6-9,21H,4-5H2,1-3H3
InChIKeyQVDQRUFZWCVKJE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCN1c2ccc(cc2N(CC)[S]1(=O)=O)C(=O)c3cnn(C)c3O
OpenEye OEToolkits 2.0.6CCN1c2ccc(cc2N(S1(=O)=O)CC)C(=O)c3cnn(c3O)C
FormulaC15 H18 N4 O4 S
Name[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
ChEMBL
DrugBank
ZINC
PDB chain5ywh 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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PDB5ywh Crystal structure of Arabidopsis thaliana HPPD complexed with Y13508
Resolution2.72 Å
Binding residue
(original residue number in PDB)		M335 F381 F392 F419 G420 N423 F424
Binding residue
(residue number reindexed from 1)		M281 F327 F338 F357 G358 N361 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:5ywh, PDBe:5ywh, PDBj:5ywh
PDBsum5ywh
PubMed
UniProtP93836|HPPD_ARATH 4-hydroxyphenylpyruvate dioxygenase (Gene Name=HPD)

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