Structure of PDB 7s2z Chain C Binding Site BS01

Receptor Information
>7s2z Chain C (length=170) Species: 103349 (Vitis rotundifolia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTITYDVFLSFRGEDTRFNFTDHLYSALGRRGIRTFRDDKLRRGEAIAPE
LLKAIEESRSSVIVFSENYARSRWCLDALVKIMECHKDKKDPGHAVFPIF
YHVDPSHVRKQEGSFGEAFAGYGENLKDKIPRWRTALTEAANLSGWPLQD
GYESNQIKEITDSIFRRLKC
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain7s2z Chain C Residue 201 [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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PDB7s2z Self-association configures the NAD + -binding site of plant NLR TIR domains
Resolution2.35 Å
Binding residue
(original residue number in PDB)		F122 P127 R131 N164 L165 G167 P169
Binding residue
(residue number reindexed from 1)		F100 P105 R109 N142 L143 G145 P147
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.-
3.2.2.6: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase.
Gene Ontology
Biological Process
GO:0007165 signal transduction

View graph for
Biological Process
External links
PDB RCSB:7s2z, PDBe:7s2z, PDBj:7s2z
PDBsum7s2z
PubMed
UniProtV9M398|RUN1_VITRO Disease resistance protein RUN1 (Gene Name=RUN1)

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