Structure of PDB 7xey Chain A Binding Site BS01

Receptor Information
>7xey Chain A (length=614) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFEALTGINGDLITRSWSASKQAYLTERYHKEEAGAVVIFAFQPSFSEKD
FFDPDNKSSFGEIKLNRVQFPCMRKIGKGDVATVNEAFLKNLEAIIDPRT
SFQASVEMAVRSRKQIVFTGHSSGGATAILATVWYLEKYFIRNPNVYLEP
RCVTFGAPLVGDSIFSHALGREKWSRFFVNFVSRFDIVPRIMLARKASVE
ETLPHVLAQLDPRKSSSEQRITEFYTRVMRDTSTVANQAVCELTGSAEAF
LETLSSFLELSPYRPAGTFVFSTEKRLVAVNNSDAILQMLFYTSQASDEQ
EWSLIPFRSIRDHHSYEELVQSMGKKLFNHLDGENSIESTLNDLGVSTRG
RQYVQAALEEEKKRVENQKKIIQVIEQERFLKKLAWIEDEYKPKCQAHKN
GYYDSFKVSNEENDFKANVKRAELAGVFDEVLGLMKKCQLPDEFEGDIDW
IKLATRYRRLVEPLDIANYHRHLKNEDTGPYMKRGRPTRYIYAQRGYEHY
ILKPNGMIAEDVFWNKVNGLNLGLQLEEIQETLKNSGSECGSCFWAEVEE
LKGKPYEEVEVRVKTLEGMLGEWITDGEVDDKEIFLEGSTFRKWWITLPK
NHKSHSPLRDYMMD
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7xey Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7xey Identification and receptor mechanism of TIR-catalyzed small molecules in plant immunity.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		K440 K478 T482 G489 P491 T492
Binding residue
(residue number reindexed from 1)		K436 K474 T478 G485 P487 T488
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016298 lipase activity
GO:0016787 hydrolase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0000304 response to singlet oxygen
GO:0001666 response to hypoxia
GO:0006629 lipid metabolic process
GO:0006952 defense response
GO:0009626 plant-type hypersensitive response
GO:0009627 systemic acquired resistance
GO:0009862 systemic acquired resistance, salicylic acid mediated signaling pathway
GO:0010310 regulation of hydrogen peroxide metabolic process
GO:0010618 aerenchyma formation
GO:0050829 defense response to Gram-negative bacterium
GO:0060866 leaf abscission
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005829 cytosol
GO:0009507 chloroplast
GO:0106093 EDS1 disease-resistance complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7xey, PDBe:7xey, PDBj:7xey
PDBsum7xey
PubMed35857645
UniProtQ9SU72|EDS1C_ARATH Protein EDS1 (Gene Name=EDS1)

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