Structure of PDB 6h9b Chain A Binding Site BS02

Receptor Information
>6h9b Chain A (length=431) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDDSFNTFFSETG
AGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGH
YTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFTSLLMERL
SVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNE
AIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVDLTEFQT
NLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDP
RHGKYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTGFKVGINY
QPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHW
YVGEGMEEGEFSEAREDMAALEKDYEEVGVD
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
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		A180 V181
Binding residue
(residue number reindexed from 1)		A173 V174
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.70,IC50=2.0uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005200 structural constituent of cytoskeleton
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
GO:0044877 protein-containing complex binding
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
Biological Process
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0001764 neuron migration
GO:0001964 startle response
GO:0006886 intracellular protein transport
GO:0007017 microtubule-based process
GO:0007098 centrosome cycle
GO:0007224 smoothened signaling pathway
GO:0007613 memory
GO:0007626 locomotory behavior
GO:0008344 adult locomotory behavior
GO:0008542 visual learning
GO:0009612 response to mechanical stimulus
GO:0010001 glial cell differentiation
GO:0010467 gene expression
GO:0021542 dentate gyrus development
GO:0021696 cerebellar cortex morphogenesis
GO:0021766 hippocampus development
GO:0021859 pyramidal neuron differentiation
GO:0021987 cerebral cortex development
GO:0022008 neurogenesis
GO:0030182 neuron differentiation
GO:0030317 flagellated sperm motility
GO:0030534 adult behavior
GO:0034612 response to tumor necrosis factor
GO:0035641 locomotory exploration behavior
GO:0046785 microtubule polymerization
GO:0048853 forebrain morphogenesis
GO:0048873 homeostasis of number of cells within a tissue
GO:0050807 regulation of synapse organization
GO:0050808 synapse organization
GO:0051402 neuron apoptotic process
GO:0061744 motor behavior
GO:0071277 cellular response to calcium ion
GO:0072384 organelle transport along microtubule
GO:0140058 neuron projection arborization
GO:1902065 response to L-glutamate
Cellular Component
GO:0000793 condensed chromosome
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0005879 axonemal microtubule
GO:0005881 cytoplasmic microtubule
GO:0005886 plasma membrane
GO:0015630 microtubule cytoskeleton
GO:0031594 neuromuscular junction
GO:0036126 sperm flagellum
GO:0036464 cytoplasmic ribonucleoprotein granule
GO:0045202 synapse
GO:0055037 recycling endosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6h9b, PDBe:6h9b, PDBj:6h9b
PDBsum6h9b
PubMed30525602
UniProtD0VWZ0

[Back to BioLiP]