Structure of PDB 2o98 Chain B Binding Site BS01

Receptor Information
>2o98 Chain B (length=237) Species: 4097 (Nicotiana tabacum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APTAREENVYMAKLAEQAERYEEMVEFMEKVSNSLGSEELTVEERNLLSV
AYKNVIGARRASWRIISSIEQKEESRGNEEHVNSIREYRSKIENELSKIC
DGILKLLDAKLIPSAASGDSKVFYLKMKGDYHRYLAEFKTGAERKEAAES
TLTAYKAAQDIATTELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQ
AFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSD
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 chain2o98 Chain B Residue 1002 [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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PDB2o98 Structure of a 14-3-3 coordinated hexamer of the plant plasma membrane H+ -ATPase by combining X-ray crystallography and electron cryomicroscopy
Resolution2.7 Å
Binding residue
(original residue number in PDB)		N49 V53 F126 K129 K221 D222
Binding residue
(residue number reindexed from 1)		N46 V50 F123 K126 K218 D219
Annotation score1
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:2o98, PDBe:2o98, PDBj:2o98
PDBsum2o98
PubMed17289589
UniProtP93343|1433C_TOBAC 14-3-3-like protein C

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