Structure of PDB 6j5w Chain A Binding Site BS01

Receptor Information
>6j5w Chain A (length=816) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVDAVVTVFLEKTLNILEEKGRTVSDYRKQLEDLQSELKYMQSFLKDAER
QKRTNETLRTLVADLRELVYEAEDILVDCQLADGDDGNEQRSSNAWLSRL
HPARVPLQYKKSKNGTDRWSSPVYDHTQVVGLEGDKRKIKEWLFRSNDSQ
LLIMAFVGMGGLGKTTIAQEVFNDKEIEHRFERRIWVSVSQTFTEEQIMR
SILRNLGDASVGDDIGTLLRKIQQYLLGKRYLIVMDDVWDKNLSWWDKIY
QGLPRGQGGSVIVTTRSESVAKRVQARDDKTHRPELLSPDNSWLLFCNVA
FAANDGTCERPELEDVGKEIVTKCKGLPLTIKAVGGLLLCKDHVYHEWRR
IAEHFQDELRGNTSETDNVMSSLQLSYDELPSHLKSCILTLSLYPEDCVI
PKQQLVHGWIGEGFVMWRNGRSATESGEDCFSGLTNRCLIEVVDKTYSGT
IITCKIHDMVRDLVIDIAKKDSFSNPEGLNCRHLGISGNFDEKQIKVNHK
LRGVVSTTKTGEVNKLNSDLAKKFTDCKYLRVLDISKSIFDAPLSEILDE
IASLQHLACLSLSNTHPLIQFPRSMEDLHNLQILDASYCQNLKQLQPCIV
LFKKLLVLDMTNCGSLECFPKGIGSLVKLEVLLGFKPARSNNGCKLSEVK
NLTNLRKLGLSLTRGDQIEEEELDSLINLSKLMSISINCYDSYGDDLITK
IDALTPPHQLHELSLQFYPGKSSPSWLSPHKLPMLRYMSICSGNLVKMQE
PFWGNENTHWRIEGLMLSSLSDLDMDWEVLQQSMPYLRTVTANWCPELES
FAIEDVGFRGGVWMKT
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 chain6j5w Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6j5w Ligand-triggered allosteric ADP release primes a plant NLR complex.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		V161 L163 G192 G194 K195 T196 T197 L326 P359 K363 H488
Binding residue
(residue number reindexed from 1)		V130 L132 G161 G163 K164 T165 T166 L295 P328 K332 H457
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005515 protein binding
GO:0043531 ADP binding
Biological Process
GO:0006952 defense response
GO:0042742 defense response to bacterium
GO:0050776 regulation of immune response
GO:0050829 defense response to Gram-negative bacterium
GO:0051707 response to other organism
Cellular Component
GO:0005634 nucleus
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6j5w, PDBe:6j5w, PDBj:6j5w
PDBsum6j5w
PubMed30948526
UniProtQ38834|R13L4_ARATH Disease resistance RPP13-like protein 4 (Gene Name=RPP13L4)

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