Structure of PDB 8who Chain A Binding Site BS02

Receptor Information
>8who Chain A (length=380) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMV
HASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSS
HGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGD
VVLRYVSYKAEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTY
VAGFTGFHQFAEFTESGLNSAVLASNDEMVLLPINEPVHKRKSQIQTYLE
HNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKR
VGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRV
GCMMYQSGGCGGFGKGNFSELFKSIEEYEK
Ligand information
Ligand IDWHO
InChIInChI=1S/C14H13F3N6O2S/c1-3-26-6-10-20-21-11-8(4-5-9(23(10)11)14(15,16)17)12(24)18-13-22-19-7(2)25-13/h4-5H,3,6H2,1-2H3,(H,18,22,24)
InChIKeyHCPJQSRDQCYJQJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCSCc1nnc2n1c(ccc2C(=O)Nc3nnc(o3)C)C(F)(F)F
CACTVS 3.385CCSCc1nnc2n1c(ccc2C(=O)Nc3oc(C)nn3)C(F)(F)F
FormulaC14 H13 F3 N6 O2 S
Name3-(ethylsulfanylmethyl)-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain8who Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8who Crystal structure of AtHPPD-YH20541 complex
Resolution1.892 Å
Binding residue
(original residue number in PDB)		H226 P280 H308 M335 Q379 F381 F419 G420 F424 L427
Binding residue
(residue number reindexed from 1)		H186 P233 H259 M286 Q330 F332 F363 G364 F368 L371
Annotation score1
External links
PDB RCSB:8who, PDBe:8who, PDBj:8who
PDBsum8who
PubMed
UniProtP93836|HPPD_ARATH 4-hydroxyphenylpyruvate dioxygenase (Gene Name=HPD)

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