Structure of PDB 8oxu Chain C Binding Site BS01

Receptor Information
>8oxu Chain C (length=234) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LAKLLRYNSTKSVDELTSLTDYVTRMPEHQKNIYYITGESLKAVEKSPFL
DALKAKNFEVLFLTDPIDEYAFTQLKEFEGKTLVDITKDFELEETDEEKA
EREKEIKEYEPLTKALKEILGDQVEKVVVSYKLLDAPAAIRTGQFGWSAN
MERIMKAQASYMSSKKTFEISPKSPIIKELKKRVDEGGAQDKTVKDLTKL
LYETALLTSGFSLDEPTSFASRINRLISLGLNID
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)		R628 T638 L642 L671 L674
Binding residue
(residue number reindexed from 1)		R183 T193 L197 L226 L229
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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