Structure of PDB 5w3h Chain B Binding Site BS02

Receptor Information
>5w3h Chain B (length=427) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREIIHISTGQCGNQIGAAFWETICGEHGLDFNGTYHGHDDIQKERLNVY
FNEASSGKWVPRSINVDLEPGTIDAVRNSAIGNLFRPDNYIFGQSSAGNV
WAKGHYTEGAELVDSVMDVIRREAEGCDSLQGFQITHSLGGGTGSGMGTL
LISKIREEFPDRMMATFSVLPSPKTSDTVVEPYNATLSVHQLVEHSDETF
CIDNEALYDICQRTLKLNQPSYGDLNNLVSSVMSGVTTSLRYPGQLNSDL
RKLAVNLVPFPRLHFFMVGYAPLTAIGSQSFRSLTVPELTQQMFDAKNMM
AAADPRNGRYLTVAAFFRGKVSVKEVEDEMHKVQSKNSDYFVEWIPNNVQ
TAVCSVAPQGLDMAATFIANSTSIQELFKRVGDQFSAMFKRKAFLHWYTS
EGMDELEFSEAESNMNDLVSEYQQYQE
Ligand information
Ligand IDEP
InChIInChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1
InChIKeyHESCAJZNRMSMJG-KKQRBIROSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1C(C)C(O)C(C)CCCC3OC3CC(OC(=O)CC(O)C1(C)C)/C(=C/c2nc(sc2)C)C
OpenEye OEToolkits 1.7.5Cc1nc(cs1)C=C(C)C2CC3C(O3)CCCC(C(C(C(=O)C(C(CC(=O)O2)O)(C)C)C)O)C
CACTVS 3.385C[CH]1CCC[CH]2O[CH]2C[CH](OC(=O)C[CH](O)C(C)(C)C(=O)[CH](C)[CH]1O)C(C)=Cc3csc(C)n3
OpenEye OEToolkits 1.7.5Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C
CACTVS 3.385C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(/C)=C/c3csc(C)n3
FormulaC26 H39 N O6 S
NameEPOTHILONE A
ChEMBLCHEMBL329993
DrugBank
ZINCZINC000003951738
PDB chain5w3h Chain B Residue 502 [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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PDB5w3h Structural differences between yeast and mammalian microtubules revealed by cryo-EM.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		L215 L217 D224 P272 L273 T274 I276 R282
Binding residue
(residue number reindexed from 1)		L215 L217 D224 P272 L273 T274 I276 R282
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005200 structural constituent of cytoskeleton
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0046872 metal ion binding
Biological Process
GO:0000022 mitotic spindle elongation
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0007010 cytoskeleton organization
GO:0007017 microtubule-based process
GO:0031122 cytoplasmic microtubule organization
GO:0046677 response to antibiotic
GO:0090307 mitotic spindle assembly
GO:0090316 positive regulation of intracellular protein transport
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0045298 tubulin complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5w3h, PDBe:5w3h, PDBj:5w3h
PDBsum5w3h
PubMed28652389
UniProtP02557|TBB_YEAST Tubulin beta chain (Gene Name=TUB2)

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