Structure of PDB 6b1u Chain F Binding Site BS02
Receptor Information
>6b1u Chain F (length=299) Species:
9606
(Homo sapiens) [
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NNSVYTSFMKSHRCYDLIPTSSKLVVFDTSLQVKKAFFALVTNGVRAAPL
WDSKKQSFVGMLTITDFINILHRYYKSALVQIYELEEHKIETWREVYLQS
FKPLVCISPNASLFDAVSSLIRNKIHRLPVIDPESGNTLYILTHKRILKF
LKLFITEFPKPEFMSKSLEELQIGTYANIAMVRTTTPVYVALGIFVQHRV
SALPVVDEKGRVVDIYSKFDVINLAAEKTYNNLDVSVTKALQHRSHYFEG
VLKCYLHETLETIINRLVEAEVHRLVVVDENDVVKGIVSLSDILQALVL
Ligand information
Ligand ID
AMP
InChI
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
UDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
Software
SMILES
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01
O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
Formula
C10 H14 N5 O7 P
Name
ADENOSINE MONOPHOSPHATE
ChEMBL
CHEMBL752
DrugBank
DB00131
ZINC
ZINC000003860156
PDB chain
6b1u Chain F Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
6b1u
Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Resolution
2.77 Å
Binding residue
(original residue number in PDB)
H151 T200 I204 A205 V225 S226 H298 I312 S314 S316 D317
Binding residue
(residue number reindexed from 1)
H126 T175 I179 A180 V200 S201 H273 I287 S289 S291 D292
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0004672
protein kinase activity
GO:0004691
cAMP-dependent protein kinase activity
GO:0005515
protein binding
GO:0005524
ATP binding
GO:0008603
cAMP-dependent protein kinase regulator activity
GO:0016208
AMP binding
GO:0019887
protein kinase regulator activity
GO:0019901
protein kinase binding
GO:0043531
ADP binding
Biological Process
GO:0006110
regulation of glycolytic process
GO:0006468
protein phosphorylation
GO:0006633
fatty acid biosynthetic process
GO:0007165
signal transduction
GO:0007283
spermatogenesis
GO:0010628
positive regulation of gene expression
GO:0031669
cellular response to nutrient levels
GO:0045860
positive regulation of protein kinase activity
GO:0051170
import into nucleus
Cellular Component
GO:0005634
nucleus
GO:0005654
nucleoplasm
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0016020
membrane
GO:0031588
nucleotide-activated protein kinase complex
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:6b1u
,
PDBe:6b1u
,
PDBj:6b1u
PDBsum
6b1u
PubMed
29657085
UniProt
P54619
|AAKG1_HUMAN 5'-AMP-activated protein kinase subunit gamma-1 (Gene Name=PRKAG1)
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