Structure of PDB 6g77 Chain A Binding Site BS03

Receptor Information
>6g77 Chain A (length=291) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVKEIPITHHVKEGYEKADPAQFELLKVLGQGSFGKVFLVRKKTGPDAGQ
LYAMKVLKKASLKVRDDILVEVNHPFIVKLHYAFQTEGKLYLILDFLRGG
DVFTRLSKEVLFTEEDVKFYLAELALALDHLHQLGIVYRDLKPENILLDE
IGHIKLTDFGLSKESVDQEKKAYSFCGTVEYMAPEVVNRRGHSQSADWWS
YGVLMFEMLTGTLPFQGKDRNETMNMILKAKLGMPQFLSAEAQSLLRMLF
KRNPANRLGSEGVEEIKRHLFFANIDWDKLYKREVQPPFKP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6g77 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6g77 Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer.
Resolution2.499 Å
Binding residue
(original residue number in PDB)		C234 H250
Binding residue
(residue number reindexed from 1)		C176 H192
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D198 K200 E202 N203 D216 T236
Catalytic site (residue number reindexed from 1) D140 K142 E144 N145 D158 T178
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:6g77, PDBe:6g77, PDBj:6g77
PDBsum6g77
PubMed34261798
UniProtQ9UK32|KS6A6_HUMAN Ribosomal protein S6 kinase alpha-6 (Gene Name=RPS6KA6)

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