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Structure of PDB 3ns2 Chain B Binding Site BS01

Receptor Information >3ns2 Chain B (length=179) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] KGLTDEEQKTLEPVIKTYHQFEPDPTTCTSLITQRIHAPASVVWPLIRRF DNPERYKHFVKRCRLISGDGDVGSVREVTVISGLPASTSTERLEFVDDDH RVLSFRVVGGEHRLKNYKSVTSVNEFLNQDSGKVYTVVLESYTVDIPEGN TEEDTKMFVDTVVKLNLQKLGVAATSAPM

Ligand information Ligand ID PYV InChI InChI=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 InChIKey GJSDYQXOSHKOGX-UHFFFAOYSA-N SMILES Software SMILES ACDLabs 12.01 Brc2c1c(cccc1)c(cc2)S(=O)(=O)NCc3ncccc3 OpenEye OEToolkits 1.7.0 c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3 CACTVS 3.370 Brc1ccc(c2ccccc12)[S](=O)(=O)NCc3ccccn3 Formula C16 H13 Br N2 O2 S Name 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide; Pyrabactin ChEMBL CHEMBL1235543 DrugBank ZINC ZINC000000864555 PDB chain 3ns2 Chain B Residue 191 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 3ns2 Single amino acid alteration between Valine and Isoleucine determines the distinct pyrabactin selectivity by PYL1 and PYL2 Resolution 1.634 Å Binding residue (original residue number in PDB) K64 V87 E98 Y124 F165 V169 Binding residue (residue number reindexed from 1) K57 V80 E91 Y117 F158 V162 Annotation score 1

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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