Structure of PDB 7avw Chain A Binding Site BS01

Receptor Information

>7avw Chain A (length=188) Species: 2711 (Citrus sinensis)

PTYTTHHLAIPSGVTQDEFDELKQSVVEFHTYQLSQNQCSSLLAQRIRAP
NDVVWSIVRRFDQPQTYKHFIKSCSVSDNFTMAVGSTRDVNVISGLPAAT
STERLDILDDDRQVTGFSIIGGEHRLRNYRSVTSVHGFNRDGAICTVVLE
SYVVDVPEGNTEEDTRLFADTVVKLNLQKLVSVAESQV

Ligand information

• Ligand ID: S5N
• InChI: InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-14(11-16(13)17)12-19-24(22,23)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3
• InChIKey: JYPYWRMUXLPCGO-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: CN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12
  OpenEye OEToolkits 2.0.7: CC1=CC(=O)N(c2c1cc(cc2)CNS(=O)(=O)c3ccccc3)C
• Formula: C18 H18 N2 O3 S
• Name: N-((1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)methyl)benzenesulfonamide;
  ~{N}-[(1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide;
  
• PDB chain: 7avw Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7avw X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-Lig2-HAB1 TERNARY COMPLEX
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): K88 V110 A118 S121 E123 H144 Y149
• Binding residue (residue number reindexed from 1): K68 V90 A98 S101 E103 H124 Y129
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004864 protein phosphatase inhibitor activity
• GO:0010427 abscisic acid binding
• GO:0038023 signaling receptor activity

Biological Process

• GO:0009738 abscisic acid-activated signaling pathway

Cellular Component

• GO:0005634 nucleus
• GO:0005737 cytoplasm
• GO:0005886 plasma membrane

External links

• PDB: RCSB:7avw, PDBe:7avw, PDBj:7avw
• PDBsum: 7avw
• UniProt: A0A067E666