Structure of PDB 4jym Chain A Binding Site BS01

Receptor Information
>4jym Chain A (length=267) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVVEEAHNVKVIGSGEATIVLGHGFGTDQSVWKHLVPHLVDDYRVVLYDN
MGAGTTNPDYFDFDRYSNLEGYSFDLIAILEDLKIESCIFVGHSVSAMIG
VLASLNRPDLFSKIVMISASPRYVNDVDYQGGFEQEDLNQLFEAIRSNYK
AWCLGFAPLAVGGDMDSIAVQEFSRTLFNMRPDIALSVGQTIFQSDMRQI
LPFVTVPCHILQSVKDLAVPVVVSEYLHANLGCESVVEVIPSDGHLPQLS
SPDSVIPVILRHIRNDI
Ligand information
Ligand IDKKN
InChIInChI=1S/C8H6O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h2-4H,1H3
InChIKeyJUTMAMXOAOYKHT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CC1=C2C=COC=C2OC1=O
ACDLabs 12.01O=C2OC1=COC=CC1=C2C
FormulaC8 H6 O3
Name3-methyl-2H-furo[2,3-c]pyran-2-one;
Karrikin KAR1
ChEMBL
DrugBank
ZINCZINC000004204274
PDB chain4jym Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jym Smoke-derived karrikin perception by the alpha/beta-hydrolase KAI2 from Arabidopsis.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		Y124 F134 F157 F194 A219
Binding residue
(residue number reindexed from 1)		Y123 F133 F156 F193 A218
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.04,Kd=9.05uM
Enzymatic activity
Catalytic site (original residue number in PDB) F26 S95 V96 K216
Catalytic site (residue number reindexed from 1) F25 S94 V95 K215
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016787 hydrolase activity
Biological Process
GO:0009640 photomorphogenesis
GO:0009704 de-etiolation
GO:0080167 response to karrikin
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4jym, PDBe:4jym, PDBj:4jym
PDBsum4jym
PubMed23613584
UniProtQ9SZU7|KAI2_ARATH Probable esterase KAI2 (Gene Name=KAI2)

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