Structure of PDB 5ufu Chain C Binding Site BS01

Receptor Information
>5ufu Chain C (length=289) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVYTTFMKSHRCYDLIPTSSKLVVFDTSLQVKKAFFALVTNGVRAAPLWD
SKKQSFVGMLTITDFINILHRYYKSALVQIYELEEHKIETWREVYLQDPL
VCISPNASLFDAVSSLIRNKIHRLPVIDPESGNTLYILTHKRILKFLKLF
ITEFPKPEFMSKSLEELQIGTYANIAMVRTTTPVYVALGIFVQHRVSALP
VVDEKGRVVDIYSKFDVINLAAEKTYNNLDVSVTKALQHRGVLKCYLHET
LEAIINRLVEAEVHRLVVVDEHDVVKGIVSLSDILQALV
Ligand information
Ligand IDAMP
InChIInChI=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
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain5ufu Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ufu Activation of Skeletal Muscle AMPK Promotes Glucose Disposal and Glucose Lowering in Non-human Primates and Mice.
Resolution3.45 Å
Binding residue
(original residue number in PDB)		H150 T199 I203 A204 V224 S225 I311 S313 S315 D316
Binding residue
(residue number reindexed from 1)		H122 T171 I175 A176 V196 S197 I278 S280 S282 D283
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004679 AMP-activated protein kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016208 AMP binding
GO:0019887 protein kinase regulator activity
GO:0019901 protein kinase binding
GO:0043531 ADP binding
GO:0044877 protein-containing complex binding
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0010628 positive regulation of gene expression
GO:0031669 cellular response to nutrient levels
GO:0051170 import into nucleus
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0031588 nucleotide-activated protein kinase complex
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ufu, PDBe:5ufu, PDBj:5ufu
PDBsum5ufu
PubMed28467931
UniProtP80385|AAKG1_RAT 5'-AMP-activated protein kinase subunit gamma-1 (Gene Name=Prkag1)

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