Structure of PDB 6h9b Chain B Binding Site BS02

Receptor Information
>6h9b Chain B (length=431) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNN
WAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTL
LISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETY
CIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADL
RKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDSKNMM
AACDPRHGRYLTVATIFRGRMSMKEVDEQMLNIQNKNSSYFVEWIPNNVK
TAVCDIPPRGLKMSSTFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTG
EGMDEMEFTEAESNMNDLVSEYQQYQDATAD
Ligand information
Ligand IDFWH
InChIInChI=1S/C25H20N2/c1-16-14-21(19-8-4-6-10-23(19)26-16)17(2)18-12-13-25-22(15-18)20-9-5-7-11-24(20)27(25)3/h4-15H,2H2,1,3H3
InChIKeyQFMFGYHKBRNDLH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(c2ccccc2n1)C(=C)c3ccc4c(c3)c5ccccc5n4C
CACTVS 3.385Cn1c2ccccc2c3cc(ccc13)C(=C)c4cc(C)nc5ccccc45
FormulaC25 H20 N2
Name9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
ChEMBLCHEMBL4584494
DrugBank
ZINC
PDB chain6h9b Chain B Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6h9b 1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin-Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		C241 A250 L255 N258 M259 A316 T317 N349 N350 K352 A354
Binding residue
(residue number reindexed from 1)		C239 A248 L253 N256 M257 A314 T315 N347 N348 K350 A352
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.70,IC50=2.0uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005200 structural constituent of cytoskeleton
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:6h9b, PDBe:6h9b, PDBj:6h9b
PDBsum6h9b
PubMed30525602
UniProtD0VWY9

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