Structure of PDB 8hz9 Chain A Binding Site BS02

Receptor Information
>8hz9 Chain A (length=385) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMV
HASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSS
HGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGD
VVLRYVSYKAFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYV
AGFTGFHQFAEFESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLE
HNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKR
VGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRV
GCMMYQSGGCGGFGKGNFSELFKSIEEYEKTLEAK
Ligand information
Ligand IDO4C
InChIInChI=1S/C16H17N5O3/c1-8(2)21-16(24)13-9(3)10(5-6-12(13)18-19-21)14(22)11-7-17-20(4)15(11)23/h5-8,17H,1-4H3
InChIKeyFOOUWGAVLDWNOL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)N1N=Nc2ccc(c(C)c2C1=O)C(=O)C3=CNN(C)C3=O
OpenEye OEToolkits 2.0.7Cc1c(ccc2c1C(=O)N(N=N2)C(C)C)C(=O)C3=CNN(C3=O)C
FormulaC16 H17 N5 O3
Name5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one
ChEMBL
DrugBank
ZINC
PDB chain8hz9 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8hz9 Crystal structure of AtHPPD-Y181136 complex
Resolution2.011 Å
Binding residue
(original residue number in PDB)		H226 P280 H308 F381 E394 F419 G420 F424
Binding residue
(residue number reindexed from 1)		H185 P231 H259 F332 E345 F363 G364 F368
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8hz9, PDBe:8hz9, PDBj:8hz9
PDBsum8hz9
PubMed
UniProtP93836|HPPD_ARATH 4-hydroxyphenylpyruvate dioxygenase (Gene Name=HPD)

[Back to BioLiP]