Structure of PDB 3nmp Chain B Binding Site BS01

Receptor Information
>3nmp Chain B (length=176) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEQKTLEPVIKTYHQFEPDPTTCTSLITQRIHAPASVVWPLIRRFDNPER
YKHFVKRCRLISGDGDVGSVREVTVISGLPFSTSTERLEFVDDDHRVLSF
RVVGGEHRLKNYKSVTSVNEFLNQDSGKVYTVVLESYTVDIPEGNTEEDT
KMFVDTVVKLNLQKLGVAATSAPMHD
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 chain3nmp Chain B Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3nmp Identification and mechanism of ABA receptor antagonism.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K64 H65 E98 F112 L121 Y124 V169
Binding residue
(residue number reindexed from 1)		K52 H53 E86 F100 L109 Y112 V157
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:3nmp, PDBe:3nmp, PDBj:3nmp
PDBsum3nmp
PubMed20729862
UniProtO80992|PYL2_ARATH Abscisic acid receptor PYL2 (Gene Name=PYL2)

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