Structure of PDB 4a8g Chain A Binding Site BS01

Receptor Information

>4a8g Chain A (length=159) Species: 3505 (Betula pendula)

GVFNYETETTSVIPAARLFKAFILDGDNLFPKVAPQAISSVENIEGNGGP
GTIKKISFPEGFPFKYVKDRVDEVDHTNFKYNYSVIEGGPIGDTLEKISN
EIKIVATPDGGSILKISNKYHTKGDHEVKAEQVKASKEMGETLLRAVESY
LLAHSDAYN

Ligand information

• Ligand ID: DMX
• InChI: InChI=1S/C12H19NO3S/c1-13(2,9-6-10-17(14,15)16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
• InChIKey: MEJASPJNLSQOAG-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C[N+](C)(CCCS(=O)(=O)[O-])Cc1ccccc1
  ACDLabs 10.04: [O-]S(=O)(=O)CCC[N+](C)(Cc1ccccc1)C
  CACTVS 3.341: C[N+](C)(CCC[S]([O-])(=O)=O)Cc1ccccc1
• Formula: C12 H19 N O3 S
• Name: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE
• PDB chain: 4a8g Chain A Residue 1160

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4a8g Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): F22 F30 Y81 Y83 I102 I116 G140
• Binding residue (residue number reindexed from 1): F22 F30 Y81 Y83 I102 I116 G140
• 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:0006952 defense response
• GO:0009738 abscisic acid-activated signaling pathway

Cellular Component

• GO:0005634 nucleus
• GO:0005737 cytoplasm

External links

• PDB: RCSB:4a8g, PDBe:4a8g, PDBj:4a8g
• PDBsum: 4a8g
• PubMed: 22634284
• UniProt: P15494|BEV1A_BETPN Major pollen allergen Bet v 1-A (Gene Name=BETVIA)