Structure of PDB 6y6b Chain B Binding Site BS02

Receptor Information
>6y6b Chain B (length=233) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDREQLVQKARLAEQAERYDDMAAAMKNVTELNEPLSNEERNLLSVAYKN
VVGARRSSWRVISSIEQKTSADGNEKKIEMVRAYREKIEKELEAVCQDVL
SLLDNYLIKNCSETQYESKVFYLKMKGDYYRYLAEVATGEKRATVVESSE
KAYSEAHEISKEHMQPTHPIRLGLALNYSVFYYEIQNAPEQACHLAKTAF
DDAIAELDTLNEDSYKDSTLIMQLLRDNLTLWT
Ligand information
Ligand IDOD8
InChIInChI=1S/C27H48O8/c1-13(2)16-8-9-27(4)10-18-15(12-33-5)6-7-17(18)14(3)21(29)25(20(16)27)35-26-24(32)23(31)22(30)19(11-28)34-26/h13-26,28-32H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19-,20-,21-,22-,23+,24-,25-,26-,27-/m1/s1
InChIKeyVEMJQLCDXCMEJD-YTTKSRRZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H]1[C@@H]2CC[C@@H]([C@H]2C[C@]3(CC[C@H]([C@@H]3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC
OpenEye OEToolkits 2.0.7CC1C2CCC(C2CC3(CCC(C3C(C1O)OC4C(C(C(C(O4)CO)O)O)O)C(C)C)C)COC
CACTVS 3.385COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]4[CH](CC[C]4(C)C[CH]12)C(C)C
CACTVS 3.385COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4[C@@H](CC[C@]4(C)C[C@H]12)C(C)C
FormulaC27 H48 O8
Name(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol;
16-OMe-Fusicoccin H
ChEMBL
DrugBank
ZINC
PDB chain6y6b Chain B 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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PDB6y6b Stabilization of Protein-Protein Interactions between CaMKK2 and 14-3-3 by Fusicoccins.
Resolution3.08 Å
Binding residue
(original residue number in PDB)		F122 K125 P170 D218
Binding residue
(residue number reindexed from 1)		F121 K124 P169 D217
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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6y6b, PDBe:6y6b, PDBj:6y6b
PDBsum6y6b
PubMed33146997
UniProtP61981|1433G_HUMAN 14-3-3 protein gamma (Gene Name=YWHAG)

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