Structure of PDB 4nus Chain A

Receptor sequence
>4nusA (length=301) Species: 9606 (Homo sapiens) [Search protein sequence]
THHVKEGHEKADPSQFELLKVLGQGSFGKVFLVKKISGSDARQLYAMKVL
KKATLKVRDRVRTKMERDILVEVNHPFIVKLHYAFQTEGKLYLILDFLRG
GDLFTRLSKEVMFTEEDVKFYLAELALALDHLHSLGIIYRDLKPENILLD
EEGHIKLTDFGLSKESIDHEKKAYSFCGTVEYMAPEVVNRRGHTQSADWW
SFGVLMFEMLTGTLPFQGKDRKETMTMILKAKLGMPQFLSPEAQSLLRML
FKRNPANRLGAGPDGVEEIKRHSFFSTIDWNKLYRREIHPPFKPATFYFD
P
3D structure
PDB4nus Novel potent and selective inhibitors of p90 ribosomal S6 kinase reveal the heterogeneity of RSK function in MAPK-driven cancers.
ChainA
Resolution2.39 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D193 K195 E197 N198 D211 T231
Catalytic site (residue number reindexed from 1) D141 K143 E145 N146 D159 T179
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 2NK A F79 V82 A98 K100 L150 L200 T210 D211 F212 F27 V30 A46 K48 L98 L148 T158 D159 F160 MOAD: ic50=0.005uM
PDBbind-CN: -logKd/Ki=8.30,IC50=5nM
BindingDB: IC50=5.0nM
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:4nus, PDBe:4nus, PDBj:4nus
PDBsum4nus
PubMed24554780
UniProtP51812|KS6A3_HUMAN Ribosomal protein S6 kinase alpha-3 (Gene Name=RPS6KA3)

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