Structure of PDB 3oji Chain A Binding Site BS01

Receptor Information
>3oji Chain A (length=181) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPYGLTKDEFSTLDSIIRTHHTFPRSNTCTSLIAHRVDAPAHAIWRFVRD
FANPNKYKHFIKSCTIRVNKEIKVGTIREVSVVSGLPASTSVEILEVLDE
EKRILSFRVLGGEHRLNNYRSVTSVNEFVVLEKDKKKRVYSVVLESYIVD
IPQGNTEEDTRMFVDTVVKSNLQNLAVISTA
Ligand information
Ligand IDPYV
InChIInChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2
InChIKeyGJSDYQXOSHKOGX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Brc2c1c(cccc1)c(cc2)S(=O)(=O)NCc3ncccc3
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3
CACTVS 3.370Brc1ccc(c2ccccc12)[S](=O)(=O)NCc3ccccn3
FormulaC16 H13 Br N2 O2 S
Name4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide;
Pyrabactin
ChEMBLCHEMBL1235543
DrugBank
ZINCZINC000000864555
PDB chain3oji Chain A Residue 210 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3oji Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Resolution1.84 Å
Binding residue
(original residue number in PDB)		A113 S116 Y144 V192
Binding residue
(residue number reindexed from 1)		A88 S91 Y119 V167
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004864 protein phosphatase inhibitor activity
GO:0005515 protein binding
GO:0010427 abscisic acid binding
GO:0038023 signaling receptor activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0009738 abscisic acid-activated signaling pathway
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0062049 protein phosphatase inhibitor complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3oji, PDBe:3oji, PDBj:3oji
PDBsum3oji
PubMed22579247
UniProtQ9SSM7|PYL3_ARATH Abscisic acid receptor PYL3 (Gene Name=PYL3)

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