Structure of PDB 5s5g Chain B Binding Site BS02

Receptor Information
>5s5g Chain B (length=425) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNN
WAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTL
LISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETY
CIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADL
RKLAVNMVPFPRLHFFMPGFAPLTSRQQYRALTVPELTQQMFDSKNMMAA
CDPRHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTA
VCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEG
MDEMEFTEAESNMNDLVSEYQQYQD
Ligand information
Ligand IDSZY
InChIInChI=1S/C8H10N2O/c1-6-3-4-9-5-8(6)10-7(2)11/h3-5H,1-2H3,(H,10,11)
InChIKeyWRPYDRDMRXJIJA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1cnccc1C
ACDLabs 12.01c1(ccncc1NC(C)=O)C
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)C
FormulaC8 H10 N2 O
NameN-(4-methylpyridin-3-yl)acetamide
ChEMBL
DrugBank
ZINCZINC000022200301
PDB chain5s5g 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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PDB5s5g Comprehensive Analysis of Binding Sites in Tubulin.
Resolution2.69 Å
Binding residue
(original residue number in PDB)		G100 N102 K105 W407
Binding residue
(residue number reindexed from 1)		G98 N100 K103 W395
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005200 structural constituent of cytoskeleton
GO:0005525 GTP binding
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
Biological Process
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0007017 microtubule-based process
GO:0007399 nervous system development
GO:1902669 positive regulation of axon guidance
Cellular Component
GO:0005737 cytoplasm
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:5s5g, PDBe:5s5g, PDBj:5s5g
PDBsum5s5g
PubMed33951246
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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