Structure of PDB 8oxu Chain B Binding Site BS01

Receptor Information
>8oxu Chain B (length=233) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LAKLLRYNSTKSVDELTSLTDYVTRMPEHQKNIYYITGESLKAVEKSPFL
DALKAKNFEVLFLTDPIDEYAFTQLKEFEGKTLVDITKDFELEETDEEKA
EREKEIKEYEPLTKALKEILGDQVEKVVVSYKLLDAPAAIRTGQFGWSAN
MERIMKAQALSYMSSKKTFEISPKSPIIKELKKRVDEGGAQDKTVKDLTK
LLYETALLTSGFSLDEPTSFASRINRLISLGLN
Ligand information
Ligand IDW5R
InChIInChI=1S/C25H34F3N3O4/c1-29(2)14-12-18-21(23(32)34-6)20(16-8-10-17(11-9-16)25(26,27)28)22(24(33)35-7)19(31(18)5)13-15-30(3)4/h8-11,20H,12-15H2,1-7H3
InChIKeyVUSSPBFUEJHDJC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1C(=C(C(C(=C1CCN(C)C)C(=O)OC)c2ccc(cc2)C(F)(F)F)C(=O)OC)CCN(C)C
CACTVS 3.385COC(=O)C1=C(CCN(C)C)N(C)C(=C(C1c2ccc(cc2)C(F)(F)F)C(=O)OC)CCN(C)C
FormulaC25 H34 F3 N3 O4
Namedimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate
ChEMBLCHEMBL5315627
DrugBank
ZINC
PDB chain8oxu Chain C Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8oxu The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease.
Resolution2.94 Å
Binding residue
(original residue number in PDB)		I672 G675
Binding residue
(residue number reindexed from 1)		I228 G231
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0051082 unfolded protein binding
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0006457 protein folding

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Molecular Function
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Biological Process
External links
PDB RCSB:8oxu, PDBe:8oxu, PDBj:8oxu
PDBsum8oxu
PubMed37509087
UniProtP02829|HSP82_YEAST ATP-dependent molecular chaperone HSP82 (Gene Name=HSP82)

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