Structure of PDB 5lvo Chain A Binding Site BS02
Receptor Information
>5lvo Chain A (length=286) Species:
9606
(Homo sapiens) [
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PRKKRPEDFKFGKILGEGSFSTVVLARELATSREYAIKILEKRHIIKENK
VPYVTRERDVMSRLDHPFFVKLYFTFQDDEKLYFGLSYAKNGELLKYIRK
IGSFDETCTRFYTAEIVSALEYLHGKGIIHRDLKPENILLNEDMHIQITD
FGTAKVLSPESKQARANSFVGTAQYVSPELLTEKSACKSSDLWALGCIIY
QLVAGLPPFRAGNEGLIFAKIIKLEYDFPEKFFPKARDLVEKLLVLDATK
RLGCEEMEGYGPLKAHPFFESVTWENLHQQTPPKLT
Ligand information
Ligand ID
78W
InChI
InChI=1S/C17H13Cl2FN2O2S/c1-10(23)9-25-17(21-12-7-5-11(18)6-8-12)22-16(24)15-13(19)3-2-4-14(15)20/h2-8H,9H2,1H3,(H,21,22,24)
InChIKey
WKKVCWKOLYDIGO-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
CC(=O)CSC(NC(=O)c1c(F)cccc1Cl)=Nc2ccc(Cl)cc2
OpenEye OEToolkits 2.0.5
CC(=O)CSC(=Nc1ccc(cc1)Cl)NC(=O)c2c(cccc2Cl)F
OpenEye OEToolkits 2.0.5
CC(=O)CS/C(=N/c1ccc(cc1)Cl)/NC(=O)c2c(cccc2Cl)F
Formula
C17 H13 Cl2 F N2 O2 S
Name
2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate
ChEMBL
DrugBank
ZINC
ZINC000013467764
PDB chain
5lvo Chain A Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
5lvo
Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Resolution
1.09 Å
Binding residue
(original residue number in PDB)
K115 V127 F149 Q150 L155 F157
Binding residue
(residue number reindexed from 1)
K42 V54 F76 Q77 L82 F84
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D205 K207 E209 N210 D223 T245
Catalytic site (residue number reindexed from 1)
D132 K134 E136 N137 D150 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
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:5lvo
,
PDBe:5lvo
,
PDBj:5lvo
PDBsum
5lvo
PubMed
27693059
UniProt
O15530
|PDPK1_HUMAN 3-phosphoinositide-dependent protein kinase 1 (Gene Name=PDPK1)
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