Structure of PDB 3nmn Chain A Binding Site BS01

Receptor Information
>3nmn Chain A (length=168) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEFTQLSQSIAEFHTYQLGNGRCSSLLAQRIHAPPETVWSVVRRFDRPQI
YKHFIKSCNVSEDFEMRVGCTRDVNVISGLPANTSRERLDLLDDDRRVTG
FSITGGEHRLRNYKSVTTVHRFEIWTVVLESYVVDVPEGNSEEDTRLFAD
TVIRLNLQKLASITEAMN
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 chain3nmn Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3nmn Identification and mechanism of ABA receptor antagonism.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		A116 E121 H142 L144 Y147 F189 V193
Binding residue
(residue number reindexed from 1)		A82 E87 H108 L110 Y113 F148 V152
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3nmn, PDBe:3nmn, PDBj:3nmn
PDBsum3nmn
PubMed20729862
UniProtQ8VZS8|PYL1_ARATH Abscisic acid receptor PYL1 (Gene Name=PYL1)

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