Structure of PDB 4a86 Chain A Binding Site BS02

Receptor Information

>4a86 Chain A (length=159) Species: 3505 (Betula pendula)

GVFNYETETTSVIPAARLFKAFILDGDNLFPKVAPQAISSVENIEGNGGP
GTIKKISFPEGFPFKYVKDRVDEVDHTNFKYNYSVIEGGPIGDTLEKISN
EIKIVATPDGGSILKISNKYHTKGDHEVKAEQVKASKEMGETLLRAVESY
LLAHSDAYN

Ligand information

• Ligand ID: H35
• InChI: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
• InChIKey: QANMHLXAZMSUEX-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: C(Nc1ncnc2nc[nH]c12)c3occc3
  ACDLabs 10.04: n2c(NCc1occc1)c3ncnc3nc2
  OpenEye OEToolkits 1.5.0: c1cc(oc1)CNc2c3c(nc[nH]3)ncn2
• Formula: C10 H9 N5 O
• Name: N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE
• ChEMBL: CHEMBL228792
• DrugBank: DB11336
• ZINC: ZINC000000001601
• PDB chain: 4a86 Chain A Residue 1161

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4a86 Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
• Resolution: 1.59 Å
• Binding residue (original residue number in PDB): F30 D69 Y81 Y83 I102
• Binding residue (residue number reindexed from 1): F30 D69 Y81 Y83 I102
• Annotation score: 4

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:4a86, PDBe:4a86, PDBj:4a86
• PDBsum: 4a86
• PubMed: 22634284
• UniProt: P15494|BEV1A_BETPN Major pollen allergen Bet v 1-A (Gene Name=BETVIA)