Structure of PDB 3we4 Chain A Binding Site BS01

Receptor Information
>3we4 Chain A (length=287) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIRPECFELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNA
KDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQL
EREGIFMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKL
TDFGLCKESIHDTHTFCGTIEYMAPEILMRSGHNRAVDWWSLGALMYDML
TGAPPFTGENRKKTIDKILKCKLNLPPYLTQEARDLLKKLLKRNAASRLG
AGPGDAGEVQAHPFFRHINWEELLARKVEPPFKPLLQ
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 chain3we4 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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PDB3we4 Crystal structures of the S6K1 kinase domain in complexes with inhibitors
Resolution1.995 Å
Binding residue
(original residue number in PDB)		C240 H245 H251 C254
Binding residue
(residue number reindexed from 1)		C156 H161 H164 C167
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D218 K220 E222 N223 D236 T256
Catalytic site (residue number reindexed from 1) D134 K136 E138 N139 D152 T169
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:3we4, PDBe:3we4, PDBj:3we4
PDBsum3we4
PubMed25078151
UniProtP23443|KS6B1_HUMAN Ribosomal protein S6 kinase beta-1 (Gene Name=RPS6KB1)

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