Structure of PDB 7a6y Chain A Binding Site BS02

Receptor Information
>7a6y Chain A (length=226) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDREQLVQKARLAEQAERYDDMAAAMKNVTELNEPLSNEERNLLSVAYKN
VVGARRSSWRVISSIEQKTGNEKKIEMVRAYREKIEKELEAVCQDVLSLL
DNYLIKNCSETQYESKVFYLKMKGDYYRYLAEVATGEKRATVVESSEKAY
SEAHEISKEHMQPTHPIRLGLALNYSVFYYEIQNAPEQACHLAKTAFDDA
IAELDTLYKDSTLIMQLLRDNLTLWT
Ligand information
Ligand IDFSC
InChIInChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1
InChIKeyKXTYBXCEQOANSX-WYKQKOHHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](OC(C)=O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)COC(C)=O
CACTVS 3.385COC[C@H]/1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O[C@H]3O[C@H](COC(C)(C)C=C)[C@@H](O)[C@H](OC(C)=O)[C@H]3O)C4=C(C[C@H](O)[C@]4(C)\C=C/12)[C@H](C)COC(C)=O
OpenEye OEToolkits 1.7.5C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC
OpenEye OEToolkits 1.7.5CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COC
ACDLabs 10.04O=C(OCC(C3=C2C(OC1OC(C(O)C(OC(=O)C)C1O)COC(\C=C)(C)C)C(O)C(C)C4C(=CC2(C)C(O)C3)C(COC)CC4)C)C
FormulaC36 H56 O12
NameFUSICOCCIN
ChEMBLCHEMBL4244843
DrugBankDB01780
ZINC
PDB chain7a6y Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7a6y 14-3-3 proteins inactivate DAPK2 by promoting its dimerization and protecting key regulatory phosphosites.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N43 L44 F122 K125 D218 L221 I222
Binding residue
(residue number reindexed from 1)		N42 L43 F118 K121 D210 L213 I214
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0005080 protein kinase C binding
GO:0005159 insulin-like growth factor receptor binding
GO:0005515 protein binding
GO:0008426 protein kinase C inhibitor activity
GO:0019904 protein domain specific binding
GO:0030971 receptor tyrosine kinase binding
GO:0042802 identical protein binding
GO:0140031 phosphorylation-dependent protein binding
GO:0140311 protein sequestering activity
Biological Process
GO:0002842 positive regulation of T cell mediated immune response to tumor cell
GO:0006469 negative regulation of protein kinase activity
GO:0006605 protein targeting
GO:0007165 signal transduction
GO:0008104 protein localization
GO:0009966 regulation of signal transduction
GO:0022409 positive regulation of cell-cell adhesion
GO:0032869 cellular response to insulin stimulus
GO:0032880 regulation of protein localization
GO:0042149 cellular response to glucose starvation
GO:0045664 regulation of neuron differentiation
GO:0048167 regulation of synaptic plasticity
GO:0050870 positive regulation of T cell activation
GO:1904262 negative regulation of TORC1 signaling
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005925 focal adhesion
GO:0016020 membrane
GO:0031982 vesicle
GO:0045202 synapse
GO:0070062 extracellular exosome
GO:0098793 presynapse

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7a6y, PDBe:7a6y, PDBj:7a6y
PDBsum7a6y
PubMed34413451
UniProtP61981|1433G_HUMAN 14-3-3 protein gamma (Gene Name=YWHAG)

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