Structure of PDB 7xc2 Chain I Binding Site BS01

Receptor Information
>7xc2 Chain I (length=858) Species: 4568 (Triticum monococcum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TITLEKKVRKGIESLITELKLMQAVLSKVSKVPADQLDEGVKIWAGNVKE
LSYQMEDIVDAFMVRVNGKDLHRISAALEEVVLQAKQLAELRQRYEQEMQ
TSVDPRMMALYTDVTELVGIEETRDKLINMLTEGDDWSKHPLKTISIVGF
GGLGKTTLAKAAYDKIKVQFDCGAFVSVSRNPEMKKVLKDILYGLDKVKY
ENIHNAARDEKYLIDDIIEFLNDKRYLIVIDDIWNEKAWELIKCAFSKKS
PGSRLITTTRNVSVSEACCSSEDDIYRMEPLSNDVSRTLFCKRIFSQEEG
CPQELLKVSEEILKKCGGVPLAIITIASLLANKGHIKAKDEWYALLSSNR
SLEQMKKILLFSYYDLPSYLKPCLLYLSIFPEDREIRRARLVWRWISEGF
VYSEKQDISLYELGDSYFNELVNRSMIQPIGIDDEGKVKACRVHDMVLDL
ICSLSSEENFVTILDDPRRKMPNSESKVRRLSIQNSKIDVDTTRMEHMRS
VTVFSDNVVGKVLDISRFKVLRVLDLEGCHVSDVGYVGNLLHLRYLGLKG
THVKDLPMEVGKLQFLLTLDLRGTKIEVLPWSVVQLRRLMCLYVDYGMKL
PSGIGNLTFLEVLDDLGLSDVDLDFVKELGRLTKLRVLRLDFHGFDQSMG
KALEESISNMYKLDSLDVFVNRGLINCLSEHWVPPPRLCRLAFPSKRSWF
KTLPSWINPSSLPLLSYLDITLFEVRSEDIQLLGTLPALVYLEIWNYSVF
EEAHEVEAPVLSSGAALFPCATECRFIGIGAVPSMFPQGAAPRLKRLWFT
FPAKWSSIGLGMRHLPSLQRVVVDVISEGASREEADEAEAALRAAAEDHP
NRPILDIW
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 chain7xc2 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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PDB7xc2 A wheat resistosome defines common principles of immune receptor channels.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R157 L168 G205 K206 T207 T208 R311 P371
Binding residue
(residue number reindexed from 1)		R106 L117 G154 K155 T156 T157 R260 P320
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:7xc2, PDBe:7xc2, PDBj:7xc2
PDBsum7xc2
PubMed36163289
UniProtS5ABD6

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