Structure of PDB 6b1u Chain B Binding Site BS01

Receptor Information
>6b1u Chain B (length=184) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPTVFRWTGGGKEVYLSGSFNNWSKLPLTRSHNNFVAILDLPEGEHQYKF
FVDGQWTHDPSEPIVTSQLGTVNNIIQVKKTDFEVFDALMVDSQKCSDGP
YHQEPYVCKPEERFRAPPILPPHLLQVILNKDTGISCDPALLPEPNHVML
NHLYALSIKDGVMVLSATHRYKKKYVTTLLYKPI
Ligand information
Ligand IDCG7
InChIInChI=1S/C26H18ClN3O4/c1-14-6-11-17(12-19(14)25(32)33)34-26-28-21-13-20(27)23(29-24(21)30-26)16-9-7-15(8-10-16)18-4-2-3-5-22(18)31/h2-13,31H,1H3,(H,32,33)(H,28,29,30)
InChIKeyMEZQZPGDJJEQPZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC(c1cc(ccc1C)Oc2nc3c(n2)cc(Cl)c(n3)c4ccc(cc4)c5c(cccc5)O)=O
OpenEye OEToolkits 2.0.6Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl
CACTVS 3.385Cc1ccc(Oc2[nH]c3cc(Cl)c(nc3n2)c4ccc(cc4)c5ccccc5O)cc1C(O)=O
FormulaC26 H18 Cl N3 O4
Name5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid
ChEMBLCHEMBL3890052
DrugBank
ZINC
PDB chain6b1u Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6b1u Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		R83 S108 V113
Binding residue
(residue number reindexed from 1)		R6 S31 V36
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005515 protein binding
GO:0019901 protein kinase binding
Biological Process
GO:0006468 protein phosphorylation
GO:0006633 fatty acid biosynthetic process
GO:0007165 signal transduction
GO:0010628 positive regulation of gene expression
GO:0031669 cellular response to nutrient levels
GO:0035878 nail development
GO:0120162 positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0031588 nucleotide-activated protein kinase complex
GO:0032991 protein-containing complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6b1u, PDBe:6b1u, PDBj:6b1u
PDBsum6b1u
PubMed29657085
UniProtQ9Y478|AAKB1_HUMAN 5'-AMP-activated protein kinase subunit beta-1 (Gene Name=PRKAB1)

[Back to BioLiP]