Structure of PDB 7xx2 Chain A Binding Site BS01

Receptor Information
>7xx2 Chain A (length=827) Species: 4568 (Triticum monococcum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLEKKVRKGIESLITELKLMQAVLSKVSKVPADQLDEGVKIWAGNVKELS
YQMEDIVDAFMVRVKDLHRISAALEEVVLQAKQLAELRQRYEVDPRMMAL
YTDVTELVGIEETRDKLINMLTEGDDWSKHPLKTISIVGFGGLGKTTLAK
AAYDKIKVQFDCGAFVSVSRNPEMKKVLKDILYGLDKVKYENIHNAARDE
KYLIDDIIEFLNDKRYLIVIDDIWNEKAWELIKCAFSKKSPGSRLITTTR
NVSVSEACCSSEDDIYRMEPLSNDVSRTLFCKRIFSQEEGCPQELLKVSE
EILKKCGGVPLAIITIASLLANKGHIKAKDEWYALLSSIGHGLTKNRSLE
QMKKILLFSYYDLPSYLKPCLLYLSIFPEDREIRRARLIWRWISEGFVYS
EKQDISLYELGDSYFNELVNRSMIQPIGIDDEGKVKACRVHDMVLDLICS
LSSEENFVTILDDPRRKMPNSESKVRRLSIQNSKIDVDTTRMEHMRSVTV
FSDNVVGKVLDISRFKVLRVLDLEGCHVSDVGYVGNLLHLRYLGLKGTHV
KDLPMEIGKLQFLLTLDLRGTKIEVLPWSVVQLRRLMCLYVDYGMKLPSG
IGNLTFLEVLDDLGLSDVDLDFVKELGRLTKLRVLRLDFHGFDQSMGKAL
EESISNMYKLDSLDVFVNRGLINCLSEHWVPPPRLCRLAFPSKRSWFKTL
PSWINPSSLPLLSYLDITLFEVRSEDIQLLGTLPALVYLEIWNYSVFEEA
HEVEAPVLSSGAALFPCATECRFIGIGAVPSMFPQGAAPRLKRLWFTFPA
KWISSENIGLGMRHLPSLQRVVVDVIS
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 chain7xx2 Chain A 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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PDB7xx2 Pathogen effector AvrSr35 triggers Sr35 resistosome assembly via a direct recognition mechanism.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		R157 A160 L168 V169 G202 L204 G205 K206 T207 T208 R311 P371
Binding residue
(residue number reindexed from 1)		R96 A99 L107 V108 G141 L143 G144 K145 T146 T147 R250 P310
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:7xx2, PDBe:7xx2, PDBj:7xx2
PDBsum7xx2
PubMed36083908
UniProtS5ABD6

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