Structure of PDB 5t5t Chain C Binding Site BS01
Receptor Information
>5t5t Chain C (length=293) Species:
10116
(Rattus norvegicus) [
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SVYTTFMKSHRCYDLIPTSSKLVVFDTSLQVKKAFFALVTNGVRAAPLWD
SKKQSFVGMLTITDFINILHRYYKSALVQIYELEEHKIETWREVYLQDSF
KPLVCISPNASLFDAVSSLIRNKIHRLPVIDPESGNTLYILTHKRILKFL
KLFITEFPKPEFMSKSLEELQIGTYANIAMVRTTTPVYVALGIFVQHRVS
ALPVVDEKGRVVDIYSKFDVINLAAEKTYNNLDVSVTKALQHREGVLKCY
LHETLEAIINRLVEAEVHRLVVVDEHDVVKGIVSLSDILQALV
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
5t5t Chain C Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
5t5t
Selective Activation of AMPK beta 1-Containing Isoforms Improves Kidney Function in a Rat Model of Diabetic Nephropathy.
Resolution
3.46 Å
Binding residue
(original residue number in PDB)
H150 T199 I203 A204 V224 S225 H297 I311 S313 S315 D316
Binding residue
(residue number reindexed from 1)
H125 T174 I178 A179 V199 S200 H268 I282 S284 S286 D287
Annotation score
4
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:5t5t
,
PDBe:5t5t
,
PDBj:5t5t
PDBsum
5t5t
PubMed
28289077
UniProt
P80385
|AAKG1_RAT 5'-AMP-activated protein kinase subunit gamma-1 (Gene Name=Prkag1)
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