Structure of PDB 8wd0 Chain D Binding Site BS02

Receptor Information
>8wd0 Chain D (length=421) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNN
WAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTL
LISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETY
CIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADL
RKLAVNMVPFPRLHFFMPGFAPLLTVPELTQQMFDSKNMMAACDPRHGRY
LTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRG
LKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTE
AESNMNDLVSEYQQYQDATAD
Ligand information
Ligand IDW4F
InChIInChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
InChIKeyUXDFUVFNIAJEGM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1O)CCc2cc(c(c(c2)OC)OC)OC
CACTVS 3.385COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O
FormulaC18 H22 O5
Name2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol;
Erianin
ChEMBL
DrugBank
ZINC
PDB chain8wd0 Chain D Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wd0 The cytotoxic natural compound erianin binds to colchicine site of beta-tubulin and overcomes taxane resistance
Resolution2.6 Å
Binding residue
(original residue number in PDB)		C239 L246 A248 N256 I316 K350
Binding residue
(residue number reindexed from 1)		C239 L246 A248 N256 I306 K340
Annotation score1
Gene Ontology
Biological Process
GO:0007010 cytoskeleton organization
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule

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Biological Process
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Cellular Component
External links
PDB RCSB:8wd0, PDBe:8wd0, PDBj:8wd0
PDBsum8wd0
PubMed38905886
UniProtA0A287AGU7

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