Structure of PDB 5s5i Chain C Binding Site BS03

Receptor Information
>5s5i 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 IDX0G
InChIInChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2
InChIKeyPAJXOLYFZZURHI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C3N(Cc1nc(no1)C2CC2)CCOC3
OpenEye OEToolkits 2.0.7C1CC1c2nc(on2)CN3CCOCC3
CACTVS 3.385C1CN(CCO1)Cc2onc(n2)C3CC3
FormulaC10 H15 N3 O2
Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
ChEMBL
DrugBank
ZINCZINC000040493773
PDB chain5s5i Chain C Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s5i Comprehensive Analysis of Binding Sites in Tubulin.
Resolution2.49 Å
Binding residue
(original residue number in PDB)		C4 L167 C200 F202 L252 Q256
Binding residue
(residue number reindexed from 1)		C4 L167 C200 F202 L252 Q256
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:5s5i, PDBe:5s5i, PDBj:5s5i
PDBsum5s5i
PubMed33951246
UniProtP81947|TBA1B_BOVIN Tubulin alpha-1B chain

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