Structure of PDB 8jbw Chain A Binding Site BS01

Receptor Information
>8jbw Chain A (length=364) Species: 1047171 (Zymoseptoria tritici) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVNYRGYHHAEWWVGNAKQVAQFYITRMGFEPVAHKGLETGSRFFASHVV
QNNGVRFVFTSPVRSSARQTLKAAPLADQARLDEMYDHLDKHGDGVKDVA
FEVDDVLAVYENAVANGAESVSSPHTDSCDEGDVISAAIKTYGDTTHTFI
QRTTYTGPFLPGYRSCTTVDSANKFLPPVNLEAIDHCVGNQDWDEMSDAC
DFYERCLGFHRFWSVDDKDICTEFSALKNEPAHGKSQIEEYVDFYNGPGV
QHIALRTPNIIEAVSNLRSRGVEFISVPDTYYENMRLRLKAAGMKLEESF
DIIQKLNILIDFDEGGYLLQLFTKPLMDRPTVFIEIIQRNNFDGFGAGNF
KSLFEAIEREQDLR
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain8jbw Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jbw Discovery and Development of 4-Hydroxyphenylpyruvate Dioxygenase as a Novel Crop Fungicide Target.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		H221 H304 Q372 E387
Binding residue
(residue number reindexed from 1)		H186 H252 Q320 E335
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:0016701 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8jbw, PDBe:8jbw, PDBj:8jbw
PDBsum8jbw
PubMed38035573
UniProtO42764|HPPD_ZYMTR 4-hydroxyphenylpyruvate dioxygenase (Gene Name=HPPD)

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