Structure of PDB 7db9 Chain B Binding Site BS02

Receptor Information
>7db9 Chain B (length=430) 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
RKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDSKNMM
AACDPRHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVK
TAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTG
EGMDEMEFTEAESNMNDLVSEYQQYQDATA
Ligand information
Ligand IDIC1
InChIInChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
InChIKeyJBJYTZXCZDNOJW-JLHYYAGUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cc(c(c(c1)OC)C=C2c3ccccc3NC2=O)OC
ACDLabs 10.04O=C2C(\c1ccccc1N2)=C\c3c(OC)cc(OC)cc3OC
OpenEye OEToolkits 1.5.0COc1cc(c(c(c1)OC)\C=C\2/c3ccccc3NC2=O)OC
CACTVS 3.341COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc23)c(OC)c1
CACTVS 3.341COc1cc(OC)c(C=C2C(=O)Nc3ccccc23)c(OC)c1
FormulaC18 H17 N O4
Name3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE;
IC261
ChEMBLCHEMBL489156
DrugBankDB03083
ZINCZINC000000136945
PDB chain7db9 Chain B Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7db9 IC1 in complex with tubulin
Resolution2.845 Å
Binding residue
(original residue number in PDB)		V236 C239 L240 L246 A248 L253 N256 A314 A315 K350 I368
Binding residue
(residue number reindexed from 1)		V236 C239 L240 L246 A248 L253 N256 A314 A315 K350 I368
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:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0007017 microtubule-based process
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7db9, PDBe:7db9, PDBj:7db9
PDBsum7db9
PubMed
UniProtP02554|TBB_PIG Tubulin beta chain

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