Structure of PDB 8ay8 Chain A Binding Site BS01

Receptor Information
>8ay8 Chain A (length=188) Species: 2711 (Citrus sinensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPTYTTHHLAIPSGVTQDEFDELKQSVVEFHTYQLSQNQCSSLLAQRIRA
PNDVVWSIVRRFDQPQTYKHFIKSCSVSDNFTMAVGSTRDVNLISGLPAA
TSTERLDILDDDRQVLGISIIGGEHRLRNYRSVISVHGFNRDGAICTVAL
ESYVVDVPEGNTEEDTRLFADTVVKLNLQKLVSVAESQ
Ligand information
Ligand IDVAL
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)O)N
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C(=O)O)N
CACTVS 3.341CC(C)[C@H](N)C(O)=O
CACTVS 3.341CC(C)[CH](N)C(O)=O
FormulaC5 H11 N O2
NameVALINE
ChEMBLCHEMBL43068
DrugBankDB00161
ZINCZINC000000895099
PDB chain8ay8 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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PDB8ay8 Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		E205 Q207
Binding residue
(residue number reindexed from 1)		E186 Q188
Annotation score4
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:8ay8, PDBe:8ay8, PDBj:8ay8
PDBsum8ay8
PubMed36897942
UniProtA0A067E666

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