Structure of PDB 7xey Chain B Binding Site BS01

Receptor Information
>7xey Chain B (length=519) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CRFETSELQASVMISTPLFTDSWSSCNTANCNGSIKIHDIAGITYVAIPA
VSMIQLGNLVGLPVTGDVLFPGLSSDEPLPMVDAAILKLFLQLKIKEGLE
LELLGKKLVVITGHSTGGALAAFTALWLLSQSSPPSFRVFCITFGSPLLG
NQSLSTSISRSRLAHNFCHVVSIHDLVPRSSNEQFWPFGTYLFCSDKGGV
CLDNAGSVRLMFNILNTTATQNTEEHQRYGHYVFTLSHMFLKSRSFLGGS
IPDNSYQAGVALAVEALGFSNDDTSGVLVKECIETATRIVRAPILRSAEL
ANELASVLPARLEIQWYKDRCDASEEQLGYYDFFKRYSLKRDFKVNMSRI
RLAKFWDTVIKMVETNELPFDFHLGKKWIYASQFYQLLAEPLDIANFYKN
RDIGGHYLEGNRPKRYEVIDKWQKGVKVPEECVRSRYASTTQDTCFWAKL
EQAKEWLDEARKESSDPQRRSLLREKIVPFESYANTLVTKKEVSLDVKAK
NSSYSVWEANLKEFKCKMG
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)		K379 K380 Y383
Binding residue
(residue number reindexed from 1)		K376 K377 Y380
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016298 lipase activity
GO:0016740 transferase activity
GO:0016787 hydrolase activity
Biological Process
GO:0001666 response to hypoxia
GO:0002213 defense response to insect
GO:0006629 lipid metabolic process
GO:0009617 response to bacterium
GO:0009625 response to insect
GO:0009626 plant-type hypersensitive response
GO:0009627 systemic acquired resistance
GO:0009751 response to salicylic acid
GO:0009862 systemic acquired resistance, salicylic acid mediated signaling pathway
GO:0009873 ethylene-activated signaling pathway
GO:0010105 negative regulation of ethylene-activated signaling pathway
GO:0010150 leaf senescence
GO:0010225 response to UV-C
GO:0010310 regulation of hydrogen peroxide metabolic process
GO:0010618 aerenchyma formation
GO:0016042 lipid catabolic process
GO:0031348 negative regulation of defense response
GO:0042742 defense response to bacterium
GO:0050829 defense response to Gram-negative bacterium
GO:0051707 response to other organism
GO:0060866 leaf abscission
GO:0071327 cellular response to trehalose stimulus
GO:0080142 regulation of salicylic acid biosynthetic process
GO:0080151 positive regulation of salicylic acid mediated signaling pathway
GO:1900367 positive regulation of defense response to insect
GO:1900426 positive regulation of defense response to bacterium
GO:1901183 positive regulation of camalexin biosynthetic process
GO:2000022 regulation of jasmonic acid mediated signaling pathway
GO:2000031 regulation of salicylic acid mediated signaling pathway
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0106093 EDS1 disease-resistance complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7xey, PDBe:7xey, PDBj:7xey
PDBsum7xey
PubMed35857645
UniProtQ9S745|PAD4_ARATH Lipase-like PAD4 (Gene Name=PAD4)

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