Structure of PDB 5s5l Chain C Binding Site BS01

Receptor Information
>5s5l Chain C (length=440) 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
KRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGVDSV
Ligand information
Ligand IDX0M
InChIInChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyHCEIEGOMGWEGOJ-JTQLQIEISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)NC1Cc2ccccc2NC1
CACTVS 3.385CC(=O)N[C@@H]1CNc2ccccc2C1
ACDLabs 12.01c2c1CC(CNc1ccc2)NC(C)=O
CACTVS 3.385CC(=O)N[CH]1CNc2ccccc2C1
OpenEye OEToolkits 2.0.7CC(=O)N[C@H]1Cc2ccccc2NC1
FormulaC11 H14 N2 O
NameN-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
ChEMBL
DrugBank
ZINCZINC000019274805
PDB chain5s5l 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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PDB5s5l Comprehensive Analysis of Binding Sites in Tubulin.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		S165 T253 Q256 T257
Binding residue
(residue number reindexed from 1)		S165 T253 Q256 T257
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5s5l, PDBe:5s5l, PDBj:5s5l
PDBsum5s5l
PubMed33951246
UniProtP81947|TBA1B_BOVIN Tubulin alpha-1B chain

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