Structure of PDB 8xfy Chain C Binding Site BS01

Receptor Information
>8xfy Chain C (length=272) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKADPSQFELLKVLGQGSFGKVFLVKKISGSDARQLYAMKVLKDILVEVN
HPFIVKLHYAFQTEGKLYLILDFLRGGDLFTRLSKEVMFTEEDVKFYLAE
LALALDHLHSLGIIYRDLKPENILLDEEGHIKLTDFGLSKEFCGTVEYMA
PEVVNRRGHTQSADWWSFGVLMFEMLTGTLPFQGKDRKETMTMILKAKLG
MPQFLSPEAQSLLRMLFKRNPANRLGAGPDGVEEIKRHSFFSTIDWNKLY
RREIHPPFKPATGRPEDTFYFD
Ligand information
Ligand IDA1LU8
InChIInChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2
InChIKeyYUYJEQHNWKQNBT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1c(F)cc(cc1F)c2cnccc2c3ccc(cc3)N4CCOCC4
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccncc2c3cc(c(c(c3)F)O)F)N4CCOCC4
FormulaC21 H18 F2 N2 O2
Name2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol
ChEMBL
DrugBank
ZINC
PDB chain8xfy Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8xfy The Crystal Structure of RSK2 from Biortus.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		Q76 F79 K100 F149 L150 T210 D211 F212
Binding residue
(residue number reindexed from 1)		Q16 F19 K40 F73 L74 T134 D135 F136
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

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Molecular Function
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Biological Process
External links
PDB RCSB:8xfy, PDBe:8xfy, PDBj:8xfy
PDBsum8xfy
PubMed
UniProtP51812|KS6A3_HUMAN Ribosomal protein S6 kinase alpha-3 (Gene Name=RPS6KA3)

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