Structure of PDB 4l3j Chain A Binding Site BS02

Receptor Information
>4l3j 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]
KIRPECFELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNA
KDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQL
EREGIFMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKL
TDFGLCKESIHDGTVTHTFCGTIEYMAPEILMRSGHNRAVDWWSLGALMY
DMLTGAPPFTGENRKKTIDKILKCKLNLPPYLTQEARDLLKKLLKRNAAS
RLGAGPGDAGEVQAHPFFRHINWEELLARKVEPPFKPLLQS
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 chain4l3j Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4l3j Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C217 H222 H228 C231
Binding residue
(residue number reindexed from 1)		C156 H161 H167 C170
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D195 K197 E199 N200 D213 T233
Catalytic site (residue number reindexed from 1) D134 K136 E138 N139 D152 T172
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:4l3j, PDBe:4l3j, PDBj:4l3j
PDBsum4l3j
PubMed23731517
UniProtP23443|KS6B1_HUMAN Ribosomal protein S6 kinase beta-1 (Gene Name=RPS6KB1)

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