Structure of PDB 7jlv Chain A Binding Site BS01

Receptor Information
>7jlv Chain A (length=437) Species: 4100 (Nicotiana benthamiana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLVGIESQIKKLSSLLRMDLKGVRLVGIWGMGGVGKTTAARALFNRYYQN
FESACFLEDVKEYLQHHTLLYLQKTLLSKLLKVEFVDCTDTEEMCVILKR
RLCSKKVLVVLDDVNHNDQLDKLVGAEDWFGSGSRIVITTRDMKLLKNHD
VHETYEIKVLEKDEAIELFNLHAFKRSSPEKEFKELLNLVVDYTGGLPLA
LKVLGSLLYKEDLDVWISTIDRLKDNPEGEIMATLKISFDGLRDYEKSIF
LDIACFFRGYNQRDMTALFHASGFHPVLGVKTLVEKSLIFILEDKIQMHD
LMQEMGRQIAVQESPMRRIYRPEDVKDACIGDMRKEAIEGLLLTEPEQFE
EGELEYMYSAEALKKTRRLRILVKEYYNRGFDEPVAYLPNSLLWLEWRNY
SSNSFPSNFEPSKLVYLTMKGSSIIELWNGAKRLAFL
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7jlv Chain A Residue 1401 [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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PDB7jlv Structure of the activated ROQ1 resistosome directly recognizing the pathogen effector XopQ.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		L190 V191 G220 G221 V222 K224 T225 P386
Binding residue
(residue number reindexed from 1)		L2 V3 G32 G33 V34 K36 T37 P198
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.-
3.2.2.6: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase.
Gene Ontology
Molecular Function
GO:0003953 NAD+ nucleosidase activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0043531 ADP binding
GO:0061809 NAD+ nucleotidase, cyclic ADP-ribose generating
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:7jlv, PDBe:7jlv, PDBj:7jlv
PDBsum7jlv
PubMed33273074
UniProtA0A290U7C4|ROQ1_NICBE Disease resistance protein Roq1 (Gene Name=ROQ1)

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