Structure of PDB 8hoa Chain A Binding Site BS01

Receptor Information
>8hoa Chain A (length=271) Species: 128810 (Saccharum hybrid cultivar) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLHVFTIAELRAVTRDFSMTNFIGEGGFGPVYKGYVHDKTKPGLAAQTVA
VRLLDTEVFFLGQLRHPHLVKLIGYCYEDEHRLLVYEFMTRGSLEKHLFK
KYAASLPWSTRLKIAIGAAKGLAFLHEAEKPVIYRDFKTSNILLDSDYKA
KLSDFGLAGTQGYAAPEYIMTGHLTAKSDVYGYGVVLLELLSGRKAVDKT
RPPREQSLVEWARPYLTDARRLDRVMDPSLAGQYSTRAAHKAAAVAHQCV
ALNPKSRPHMSAVVDALEPLL
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 chain8hoa Chain A Residue 701 [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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PDB8hoa Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Resolution1.676 Å
Binding residue
(original residue number in PDB)		I26 G27 G29 A53 R55 F102 M103 L157
Binding residue
(residue number reindexed from 1)		I23 G24 G26 A50 R52 F88 M89 L143
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8hoa, PDBe:8hoa, PDBj:8hoa
PDBsum8hoa
PubMed37304725
UniProtA0A811MC32

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