Structure of PDB 4ma6 Chain A Binding Site BS01

Receptor Information
>4ma6 Chain A (length=156) Species: 3818 (Arachis hypogaea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVFTFEDEITSTVPPAKLYNAMKDADSITPKIIDDVKSVEIVEGNGGPGT
IKKLTIVEDGETKFILHKVESIDEANYAYNYSVVGGVALPPTAEKITFET
KLVEGPNGGSIGKLTLKYHTKGDAKPDEEELKKGKAKGEGLFRAIEGYVL
ANPTQY
Ligand information
Ligand ID28E
InChIInChI=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
InChIKeyPFTAWBLQPZVEMU-UKRRQHHQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O
OpenEye OEToolkits 1.7.6c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)O)O)O
ACDLabs 12.01Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O
CACTVS 3.385O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
CACTVS 3.385O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3ccc(O)c(O)c3
FormulaC15 H14 O6
Name(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;
Epicatechin
ChEMBLCHEMBL583912
DrugBankDB12039
ZINCZINC000000119988
PDB chain4ma6 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4ma6 Structure and Function of the Peanut Panallergen Ara h 8.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T30 L55 I57 H68 K138 L142
Binding residue
(residue number reindexed from 1)		T29 L54 I56 H67 K137 L141
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ma6, PDBe:4ma6, PDBj:4ma6
PDBsum4ma6
PubMed24253038
UniProtQ6VT83

[Back to BioLiP]