Structure of PDB 3nj1 Chain A Binding Site BS01

Receptor Information
>3nj1 Chain A (length=182) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGLTDEEQKTLEPVIKTYHQFEPDPTTCTSLITQRIHAPASVVWPLIRRF
DNPERYKHFVKRCRLISGDGDVGSVREVTVISGLPASTSTERLEFVDDDH
RVLSFRIVGGEHRLKNYKSVTSVNEFLNQDSGKVYTVVLESYTVDIPEGN
TEEDTKMFVDTVVKLNLQKLGVAATSAPMHDD
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 chain3nj1 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3nj1 Structural basis for selective activation of ABA receptors.
Resolution1.948 Å
Binding residue
(original residue number in PDB)		H65 V85 V87 E98 H119 Y124 V169
Binding residue
(residue number reindexed from 1)		H58 V78 V80 E91 H112 Y117 V162
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:3nj1, PDBe:3nj1, PDBj:3nj1
PDBsum3nj1
PubMed20729860
UniProtO80992|PYL2_ARATH Abscisic acid receptor PYL2 (Gene Name=PYL2)

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