Structure of PDB 6awr Chain A Binding Site BS01

Receptor Information

>6awr Chain A (length=156) Species: 3818 (Arachis hypogaea)

GVFTFEDEITSTVPPAKLYNAMKDADSITPKIIDDVKSVEIVEGNGGPGT
IKKLTIVEDGETKFILHKVESIDEANYAYNYSVVGGVALPPTAEKITFET
KLVEGPNGGSIGKLTLKYHTKGDAKPDEEELKKGKAKGEGLFRAIEGYVL
ANPTQY

Ligand information

• Ligand ID: 2AN
• InChI: InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
• InChIKey: FWEOQOXTVHGIFQ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: O=S(=O)(O)c3cccc2cccc(Nc1ccccc1)c23
  CACTVS 3.370: O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
  OpenEye OEToolkits 1.7.0: c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
• Formula: C16 H13 N O3 S
• Name: 8-ANILINO-1-NAPHTHALENE SULFONATE
• ChEMBL: CHEMBL285527
• DrugBank: DB04474
• ZINC: ZINC000001532216
• PDB chain: 6awr Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6awr Structure of PR-10 Allergen Ara h 8.01.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): V37 I57 I66 H68 Y82 V84 F99 K138
• Binding residue (residue number reindexed from 1): V36 I56 I65 H67 Y81 V83 F98 K137
• 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:6awr, PDBe:6awr, PDBj:6awr
• PDBsum: 6awr
• UniProt: Q6VT83