Structure of PDB 8ay6 Chain A Binding Site BS01

Receptor Information
>8ay6 Chain A (length=190) Species: 2711 (Citrus sinensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPTYTTHHLAIPSGVTQDEFDELKQSVVEFHTYQLSQNQCSSLLAQRIRA
PNDVVWSIVRRFDQPQTYKHFIKSCSVSDNFTMAVGSTRDVNLISGLPAA
TSTERLDILDDDRQVLGISIIGGEHRLRNYRSVISVHGFNRDGAICTVAL
ESYVVDVPEGNTEEDTRLFADTVVKLNLQKLVSVAESQVI
Ligand information
Ligand IDQPZ
InChIInChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-15(11-16(13)17)24(22,23)19-12-14-6-4-3-5-7-14/h3-11,19H,12H2,1-2H3
InChIKeyKBXRBUMRPUNHEH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1C(=O)C=C(C)c2cc(ccc12)[S](=O)(=O)NCc3ccccc3
OpenEye OEToolkits 2.0.7CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O)NCc3ccccc3)C
FormulaC18 H18 N2 O3 S
Name1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide
ChEMBL
DrugBank
ZINCZINC000004742974
PDB chain8ay6 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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PDB8ay6 Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		I91 V110 L112 A118 S121 E123 H144 L146 Y149 F188
Binding residue
(residue number reindexed from 1)		I72 V91 L93 A99 S102 E104 H125 L127 Y130 F169
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:8ay6, PDBe:8ay6, PDBj:8ay6
PDBsum8ay6
PubMed36897942
UniProtA0A067E666

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