Structure of PDB 7crc Chain D Binding Site BS01

Receptor Information
>7crc Chain D (length=1112) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIWKHQVFPSFHGADVRKTILSHILESFRRKGIDPFIDNNIERSKSIGHE
LKEAIKGSKIAIVLLSKNYASSSWCLDELAEIMKCRELLGQIVMTIFYEV
DPTDIKKQTGEFGKAFTKTCKGKTKEYVERWRKALEDVATIAGYHSHKWR
NEADMIEKIATDVSNMLNSFKPSRDFNGLVGMRAHMDMLEQLLRLVLDEV
RMIGIWGPPGIGKTTIARFLFNQVSDRFQLSAIMVNIKGCYPRPCFDEYS
AQLQLQNQMLSQMINHKDIMISHLGVAQERLRDKKVFLVLDEVDQLGQLD
ALAKETRWFGPGSRIIITTEDLGVLKAHGINHVYKVGYPSNDEAFQIFCM
NAFGQKQPHEGFDEIAREVMALAGELPLGLKVLGSALRGKSKPEWERTLP
RLKTSLDGKIGSIIQFSYDALCDEDKYLFLYIACLFNKESTTKVEGLLGK
FLDVRQGLHILAQKSLISIEDGNIYMHTLLEQFGRETSRKQFIHHGYTKH
QLLVGERDICEVLNDDTIDSRRFIGINLDLYKNVEELNISEKALERIHDF
QFVRINGKNHALHERLQGLIYQSPQIRSLHWKCYQNICLPSTFNSEFLVE
LDMSFSKLQKLWEGTKQLRNLKWMDLSYSSYLKELPNLSTATNLEELKLR
NCSSLVELPSSIEKLTSLQILDLHRCSSLVELPSFGNATKLEILNLENCS
SLVKLPPSINANNLQELSLTNCSRVVELPAIENATNLWKLNLLNCSSLIE
LPLSIGTATNLKHLDFRGCSSLVKLPSSIGDMTNLEVFYLSNCSNLVELP
SSIGNLRKLTLLLMRGCSKLETLPTNINLKSLHTLNLIDCSRLKSFPEIS
THIKYLRLIGTAIKEVPLSIMSWSPLAHFQISYFESLKEFPHALDIITEL
QLSKDIQEVPPWVKRMSRLRALRLNNCNNLVSLPQLPDSLAYLYADNCKS
LERLDCCFNNPEIRLYFPKCFKLNQEARDLIMHTSTRNFAMLPGTQVPAC
FNHRATSLKIKLKESPLPTTLTFKACIMLVNEEMSYDLKSMSVDIVIRDE
QNDLKVQCTPSYHQCTEIYVLTEHIYTFELEVEEVTSTELVFEFTSVNES
ICKIGECGILQR
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 chain7crc Chain D Residue 1301 [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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PDB7crc Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Resolution3.02 Å
Binding residue
(original residue number in PDB)		L259 V260 G290 G292 K293 T294 T295 I427 P457 K461
Binding residue
(residue number reindexed from 1)		L179 V180 G210 G212 K213 T214 T215 I347 P377 K381
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.6: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase.
Gene Ontology
Biological Process
GO:0006950 response to stress
GO:0006952 defense response
GO:0007165 signal transduction

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7crc, PDBe:7crc, PDBj:7crc
PDBsum7crc
PubMed33273071
UniProtQ9ZSN5

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