Structure of PDB 8rfh Chain B Binding Site BS01

Receptor Information
>8rfh Chain B (length=730) Species: 4100 (Nicotiana benthamiana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDVVGFEEEADKVINRLLGGSSGLEVVPVVGMPGLGKTTLANKIYKHPDI
GYQFFTRIWVYVSQSYRRRELFLNIISKFTRNTKQYHDMCEEDLADEIED
FLGKGGKYLIVLDDVWSPDAWERIRIAFPNNNKSNRILLTTRDSKVAKQC
KQCIGIPHDLKFLTEDESWILLEKKVFHKDKCPPELELSGKSIAKKCNGL
PLAIVVIAGALIGKGKTSREWKQVDESVGEHLINKDQPENCNKLVQLSYD
RLSYDLKACFLYCGAFPGGFEIPAWKLIRLWIAEGFIQYKGHLSLECKAE
DNLNDLINRNLVMVMQRTSDGQIKTCRLHDMLHEFCRQEAMKEENLFQEI
KLGAEQYFPGKRELATYRRLCIHSSVLEFISTKPSGEHVRSFLSFSLKKI
EMPSVDIPTIPKGFPLLRVFDVESINFSRFSKEFFQLYHLRYIAFSSDTI
KIIPKHIGELWNIQTLIINTQQRSLDIQANIWNMERLRHLHTNSSAKLPV
PVTPVPLVNQSLQTLSTIAPESCTEEVFARTPNLKKLGIRGKIAVLLEPN
KSLLKNVKKLESLENLKLINDSSQTGKGLRLPPSYIFPTKLRKLSLVDTW
LEWNDMSILGQMEHLEVLKLKENGFMGECWESVGGFCSLLVLWIERTDLV
SWKASADHFPRLKHLVLICCDKLKEIPIGLADIRSFQVMELQNSTKTAAI
SARGIRDKKDKQTQEGTNNNGFKLSIFPPD
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 chain8rfh Chain B Residue 1001 [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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PDB8rfh Activation of plant immunity through conversion of a helper NLR homodimer into a resistosome
Resolution3.9 Å
Binding residue
(original residue number in PDB)		D153 V154 V155 F157 P184 G185 L186 G187 K188 T189 T190 L322 P352 H480
Binding residue
(residue number reindexed from 1)		D2 V3 V4 F6 P33 G34 L35 G36 K37 T38 T39 L171 P201 H329
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006952 defense response
GO:0051707 response to other organism
GO:0098542 defense response to other organism

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8rfh, PDBe:8rfh, PDBj:8rfh
PDBsum8rfh
PubMed
UniProtA0A0S3ANR1

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