Structure of PDB 8im3 Chain E Binding Site BS01

Receptor Information
>8im3 Chain E (length=369) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGAKPERGRFLHFHSVTFWVGNAKQAASFYCSKMGFEPLAYRGLETGSRE
VVSHVIKQGKIVFVLSSALNPWNKEMGDHLVKHGDGVKDIAFEVEDCDYI
VQKARERGAKIMREPWVEQDKFGKVKFAVLQTYGDTTHTLVEKMNYIGQF
LPGYEAPAFMDPLLPKLPKCSLEMIDHIVGNQPDQEMVSASEWYLKNLQF
HRFWSVDDTQVHTEYSSLRSIVVANYEESIKMPINEPAPGKKKSQIQEYV
DYNGGAGVQHIALKTEDIITAIRHLRERGLEFLSVPSTYYKQLREKLKTA
KIKVKENIDALEELKILVDYDEKGYLLQIFTKPVQDRPTLFLEVIQRHNH
QGFGAGNFNSLFKAFEEEQ
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 chain8im3 Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8im3 Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Resolution2.78 Å
Binding residue
(original residue number in PDB)		H183 H266 E349
Binding residue
(residue number reindexed from 1)		H177 H260 E343
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:0042803 protein homodimerization activity
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:0000139 Golgi membrane
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0016020 membrane
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8im3, PDBe:8im3, PDBj:8im3
PDBsum8im3
PubMed37794595
UniProtP32754|HPPD_HUMAN 4-hydroxyphenylpyruvate dioxygenase (Gene Name=HPD)

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