Structure of PDB 5f74 Chain A Binding Site BS02

Receptor Information
>5f74 Chain A (length=229) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TMDKSELVQKAKLAEQAERYDDMAAAMKAVTEQGHELSNEERNLLSVAYK
NVVGARRSSWRVISSIEQKTNEKKQQMGKEYREKIEAELQDICNDVLELL
DKYLILNATQAESKVFYLKMKGDYFRYLSEVASGENKQTTVSNSQQAYQE
AFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIA
ELDTLNEESYKDSTLIMQLLRDNLTLWTS
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 chain5f74 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5f74 Metabolite Regulation of Nuclear Localization of Carbohydrate-response Element-binding Protein (ChREBP): ROLE OF AMP AS AN ALLOSTERIC INHIBITOR.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		K51 R58 K122 R129 N175
Binding residue
(residue number reindexed from 1)		K50 R57 K119 R126 N172
Annotation score4
Binding affinityMOAD: Kd=7.6uM
PDBbind-CN: -logKd/Ki=5.12,Kd=7.6uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004860 protein kinase inhibitor activity
GO:0005515 protein binding
GO:0019899 enzyme binding
GO:0019904 protein domain specific binding
GO:0042802 identical protein binding
GO:0042826 histone deacetylase binding
GO:0050815 phosphoserine residue binding
GO:0051219 phosphoprotein binding
Biological Process
GO:0006605 protein targeting
GO:0043085 positive regulation of catalytic activity
GO:0045184 establishment of protein localization
GO:0045744 negative regulation of G protein-coupled receptor signaling pathway
GO:0051220 cytoplasmic sequestering of protein
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0042470 melanosome
GO:0048471 perinuclear region of cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5f74, PDBe:5f74, PDBj:5f74
PDBsum5f74
PubMed26984404
UniProtQ9CQV8|1433B_MOUSE 14-3-3 protein beta/alpha (Gene Name=Ywhab)

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