Structure of PDB 5lyj Chain A Binding Site BS03

Receptor Information
>5lyj Chain A (length=439) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFN
TFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAA
NNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFT
SLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDC
AFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNV
DLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPAN
QMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTG
FKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYA
KRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGVDS
Ligand information
Ligand ID7BA
InChIInChI=1S/C18H20O5/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/h5-11,19H,1-4H3/b6-5-
InChIKeyHVXBOLULGPECHP-WAYWQWQTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC
CACTVS 3.385COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O
CACTVS 3.385COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
OpenEye OEToolkits 2.0.6COc1ccc(cc1O)C=Cc2cc(c(c(c2)OC)OC)OC
FormulaC18 H20 O5
NameCombretastatin A4
ChEMBLCHEMBL67
DrugBankDB14680
ZINCZINC000013452167
PDB chain5lyj Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lyj Structural basis of cis- and trans-combretastatin binding to tubulin
Resolution2.397 Å
Binding residue
(original residue number in PDB)		T179 V181
Binding residue
(residue number reindexed from 1)		T179 V181
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005200 structural constituent of cytoskeleton
GO:0005525 GTP binding
GO:0016787 hydrolase activity
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:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0015630 microtubule cytoskeleton

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5lyj, PDBe:5lyj, PDBj:5lyj
PDBsum5lyj
PubMed
UniProtP81947|TBA1B_BOVIN Tubulin alpha-1B chain

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