Structure of PDB 5s5h Chain C Binding Site BS01

Receptor Information
>5s5h 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 IDWLG
InChIInChI=1S/C10H15F2NO2/c11-9(12)15-6-8(14)13-5-1-2-10(7-13)3-4-10/h9H,1-7H2
InChIKeyQAUGUVLOVUPMNO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC2(CC2)CN(C1)C(=O)COC(F)F
CACTVS 3.385FC(F)OCC(=O)N1CCCC2(CC2)C1
ACDLabs 12.01C2CN(CC1(CC1)C2)C(COC(F)F)=O
FormulaC10 H15 F2 N O2
Name1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one
ChEMBL
DrugBank
ZINCZINC000334457859
PDB chain5s5h 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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PDB5s5h Comprehensive Analysis of Binding Sites in Tubulin.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T253 T257
Binding residue
(residue number reindexed from 1)		T253 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5s5h, PDBe:5s5h, PDBj:5s5h
PDBsum5s5h
PubMed33951246
UniProtP81947|TBA1B_BOVIN Tubulin alpha-1B chain

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