Structure of PDB 5s5y Chain C Binding Site BS01

Receptor Information
>5s5y 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 IDW0A
InChIInChI=1S/C12H15N3O/c1-2-5-12(16)13-8-11-14-9-6-3-4-7-10(9)15-11/h3-4,6-7H,2,5,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyMXDONONSXPZRMO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01n1c(CNC(=O)CCC)nc2c1cccc2
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCC(=O)NCc1[nH]c2ccccc2n1
FormulaC12 H15 N3 O
NameN-[(1H-benzimidazol-2-yl)methyl]butanamide
ChEMBL
DrugBank
ZINCZINC000000200671
PDB chain5s5y Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s5y Comprehensive Analysis of Binding Sites in Tubulin.
Resolution2.26 Å
Binding residue
(original residue number in PDB)		P325 V328 N329 V353 I355
Binding residue
(residue number reindexed from 1)		P325 V328 N329 V353 I355
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
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Cellular Component
External links
PDB RCSB:5s5y, PDBe:5s5y, PDBj:5s5y
PDBsum5s5y
PubMed33951246
UniProtP81947|TBA1B_BOVIN Tubulin alpha-1B chain

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