Structure of PDB 6awv Chain B Binding Site BS01

Receptor Information

>6awv Chain B (length=155) Species: 3818 (Arachis hypogaea)

VFTFEDEITSTVPPAKLYNAMKDADSITPKIIDDVKSVEIVEGNGGPGTI
KKLTIVEDGETKFILHKVESIDEANYAYNYSVVGGVALPPTAEKITFETK
LVEGPNGGSIGKLTLKYHTKGDAKPDEEELKKGKAKGEGLFRAIEGYVLA
NPTQY

Ligand information

• Ligand ID: 28E
• InChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
• InChIKey: PFTAWBLQPZVEMU-UKRRQHHQSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O
  OpenEye OEToolkits 1.7.6: c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)O)O)O
  ACDLabs 12.01: Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O
  CACTVS 3.385: O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
  CACTVS 3.385: O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3ccc(O)c(O)c3
• Formula: C15 H14 O6
• Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;
  Epicatechin
• ChEMBL: CHEMBL583912
• DrugBank: DB12039
• ZINC: ZINC000000119988
• PDB chain: 6awv Chain B Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6awv Structure of PR-10 Allergen Ara h 8.01.
• Resolution: 2.55 Å
• Binding residue (original residue number in PDB): T30 I34 L55 H68 L142
• Binding residue (residue number reindexed from 1): T28 I32 L53 H66 L140
• 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:6awv, PDBe:6awv, PDBj:6awv
• PDBsum: 6awv
• UniProt: Q6VT83