Structure of PDB 8ay3 Chain A Binding Site BS01

Receptor Information
>8ay3 Chain A (length=187) Species: 2711 (Citrus sinensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTYTTHHLAIPSGVTQDEFDELKQSVVEFHTYQLSQNQCSSLLAQRIRAP
NDVVWSIVRRFDQPQTYKHFIKSCSVSDNFTMAVGSTRDVNVISGLPAAT
STERLDILDDDRQVTGFSIIGGEHRLRNYRSVTSVHGFNRDGAICTVVLE
SYVVDVPEGNTEEDTRLFADTVVKLNLQKLVSVAESQ
Ligand information
Ligand IDOE3
InChIInChI=1S/C19H20N2O3S/c1-3-21-18-10-9-15(12-17(18)14(2)11-19(21)22)13-20-25(23,24)16-7-5-4-6-8-16/h4-12,20H,3,13H2,1-2H3
InChIKeyZRTFSGAREQNMFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12
OpenEye OEToolkits 3.1.0.0CCN1c2ccc(cc2C(=CC1=O)C)CNS(=O)(=O)c3ccccc3
FormulaC19 H20 N2 O3 S
Name~{N}-[(1-ethyl-4-methyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide
ChEMBL
DrugBank
ZINC
PDB chain8ay3 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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PDB8ay3 Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K88 A118 S121 E123 F137 H144 L146 Y149 V192
Binding residue
(residue number reindexed from 1)		K68 A98 S101 E103 F117 H124 L126 Y129 V172
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004864 protein phosphatase inhibitor activity
GO:0010427 abscisic acid binding
GO:0038023 signaling receptor activity
Biological Process
GO:0009738 abscisic acid-activated signaling pathway
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ay3, PDBe:8ay3, PDBj:8ay3
PDBsum8ay3
PubMed36897942
UniProtA0A067E666

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