Structure of PDB 7a6y Chain B Binding Site BS02

Receptor Information
>7a6y Chain B (length=217) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DREQLVQKARLAEQAERYDDMAAAMKNVTELNEPLSNEERNLLSVAYKNV
VGARRSSWRVISSIEQKIEMVRAYREKIEKELEAVCQDVLSLLDNYLIKN
CSETQYESKVFYLKMKGDYYRYLAEVATGEKRATVVESSEKAYSEAHEIS
KEHMQPTHPIRLGLALNYSVFYYEIQNAPEQACHLAKTAFDDAIAELDTK
DSTLIMQLLRDNLTLWT
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 C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		D218 L221
Binding residue
(residue number reindexed from 1)		D201 L204
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)

[Back to BioLiP]