Structure of PDB 8eq5 Chain A Binding Site BS02

Receptor Information
>8eq5 Chain A (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIAITHHVKEGHEKADPSQFELLKVLGQGSFGKVFLVKKISGSDARQLYA
MKVLKKATLKVRDRVRLVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDL
FTRLSKEVMFTEEDVKFYLAELALALDHLHSLGIIYRDLKPENILLDEEG
HIKLTDFGLSKESHEKKAYSFCGTVEYMAPEVVNRRGHTQSADWWSFGVL
MFEMLTGTLPFQGKDRKETMTMILKAKLGMPQFLSPEAQSLLRMLFKRNP
ANRLGAGPDGVEEIKRHSFFSTIDWNKLYRREIHPPFKP
Ligand information
Ligand IDQCT
InChIInChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
InChIKeyOXGUCUVFOIWWQJ-HQBVPOQASA-N
SMILES
SoftwareSMILES
CACTVS 3.370C[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O
ACDLabs 12.01O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)c(O)c4
OpenEye OEToolkits 1.7.6CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O
CACTVS 3.370C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O
FormulaC21 H20 O11
Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside;
quercitrin
ChEMBLCHEMBL82242
DrugBank
ZINCZINC000004175638
PDB chain8eq5 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8eq5 The ribosomal S6 kinase 2 (RSK2)-SPRED2 complex regulates the phosphorylation of RSK substrates and MAPK signaling.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F79 K100 V131 L147 D148 L155 E197 L200 L214
Binding residue
(residue number reindexed from 1)		F31 K52 V76 L92 D93 L100 E142 L145 L159
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8eq5, PDBe:8eq5, PDBj:8eq5
PDBsum8eq5
PubMed37149146
UniProtP51812|KS6A3_HUMAN Ribosomal protein S6 kinase alpha-3 (Gene Name=RPS6KA3)

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