Structure of PDB 7xe0 Chain I Binding Site BS01

Receptor Information
>7xe0 Chain I (length=838) Species: 4568 (Triticum monococcum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLEKKVRKGIESLITELKLMQAVLSKVSKVPADQLDEGVKIWAGNVKELS
YQMEDIVDAFMVRVKDLHRISAALEEVVLQAKQLAELRQRYEQEMRDTSA
NTSVDPRMMALYTDVTELVGIEETRDKLINMLTEGDDWSKHPLKTISIVG
FGGLGKTTLAKAAYDKIKVQFDCGAFVSVSRNPEMKKVLKDILYGLDKVK
YENIHNAARDEKYLIDDIIEFLNDKRYLIVIDDIWNEKAWELIKCAFSKK
SPGSRLITTTRNVSVSEACCSSEDDIYRMEPLSNDVSRTLFCKRIFSQEE
GCPQELLKVSEEILKKCGGVPLAIITIASLLANKGHIKAKDEWYALLSSI
GHGLTKNRSLEQMKKILLFSYYDLPSYLKPCLLYLSIFPEDREIRRARLI
WRWISEGFVYSEKQDISLYELGDSYFNELVNRSMIQPIGIDDEGKVKACR
VHDMVLDLICSLSSEENFVTILDDPRRKMPNSESKVRRLSIQNSKIDVDT
TRMEHMRSVTVFSDNVVGKVLDISRFKVLRVLDLEGCHVSDVGYVGNLLH
LRYLGLKGTHVKDLPMEIGKLQFLLTLDLRGTKIEVLPWSVVQLRRLMCL
YVDYGMKLPSGIGNLTFLEVLDDLGLSDVDLDFVKELGRLTKLRVLRLDF
HGFDQSMGKALEESISNMYKLDSLDVFVNRGLINCLSEHWVPPPRLCRLA
FPSKRSWFKTLPSWINPSSLPLLSYLDITLFEVRSEDIQLLGTLPALVYL
EIWNYSVFEEAHEVEAPVLSSGAALFPCATECRFIGIGAVPSMFPQGAAP
RLKRLWFTFPAKWISSENIGLGMRHLPSLQRVVVDVIS
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 chain7xe0 Chain I 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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PDB7xe0 Pathogen effector AvrSr35 triggers Sr35 resistosome assembly via a direct recognition mechanism.
Resolution3.33 Å
Binding residue
(original residue number in PDB)		R157 L168 G202 G203 G205 K206 T207 T208 R311 P371 I375
Binding residue
(residue number reindexed from 1)		R107 L118 G152 G153 G155 K156 T157 T158 R261 P321 I325
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:7xe0, PDBe:7xe0, PDBj:7xe0
PDBsum7xe0
PubMed36083908
UniProtS5ABD6

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