Structure of PDB 1o9f Chain A Binding Site BS02
Receptor Information
>1o9f Chain A (length=231) Species:
4097
(Nicotiana tabacum) [
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PTAREENVYMAKLAEQAERYEEMVEFMEKVSNSLGSEELTVEERNLLSVA
YKNVIGARRASWRIISSIEQKEESRGNEEHVNSIREYRSKIENELSKICD
GILKLLDAKLIPSAASGDSKVFYLKMKGDYHRYLAEFKTGAERKEAAEST
LTAYKAAQDIATTELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQA
FDEAIAELDTLYKDSTLIMQLLRDNLTLWTS
Ligand information
Ligand ID
FSC
InChI
InChI=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
InChIKey
KXTYBXCEQOANSX-WYKQKOHHSA-N
SMILES
Software
SMILES
CACTVS 3.385
COC[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 3.385
COC[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 1.7.5
C[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 1.7.5
CC1C2CCC(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 10.04
O=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
Formula
C36 H56 O12
Name
FUSICOCCIN
ChEMBL
CHEMBL4244843
DrugBank
DB01780
ZINC
PDB chain
1o9f Chain A Residue 1240 [
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Receptor-Ligand Complex Structure
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PDB
1o9f
Structural View of a Fungal Toxin Acting on a 14-3-3 Regulatory Complex
Resolution
2.7 Å
Binding residue
(original residue number in PDB)
N49 V53 F126 K129 I175 K221 D222
Binding residue
(residue number reindexed from 1)
N45 V49 F122 K125 I171 K213 D214
Annotation score
1
Binding affinity
Manual survey: Kd=0.7uM (12606564)
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Biological Process
GO:0007165
signal transduction
GO:0008104
protein localization
Cellular Component
GO:0005737
cytoplasm
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1o9f
,
PDBe:1o9f
,
PDBj:1o9f
PDBsum
1o9f
PubMed
12606564
UniProt
P93343
|1433C_TOBAC 14-3-3-like protein C
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