Structure of PDB 5s4p Chain B Binding Site BS03

Receptor Information
>5s4p Chain B (length=422) 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
RKLAVNMVPFPRLHFFMPGFAPLQQYRALTVPELTQQMFDSKNMMAACDP
RHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCD
IPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDE
MEFTEAESNMNDLVSEYQQYQD
Ligand information
Ligand IDWNY
InChIInChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
InChIKeyUVYFWYMZWQBGAQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)N1CCN(CC1)c2ccc(cc2)Cl
ACDLabs 12.01c2(N1CCN(C(C)=O)CC1)ccc(cc2)Cl
CACTVS 3.385CC(=O)N1CCN(CC1)c2ccc(Cl)cc2
FormulaC12 H15 Cl N2 O
Name1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one
ChEMBL
DrugBank
ZINCZINC000000474708
PDB chain5s4p Chain B Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s4p Comprehensive Analysis of Binding Sites in Tubulin.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		V177 S178 P222 T223 Y224 L227
Binding residue
(residue number reindexed from 1)		V175 S176 P220 T221 Y222 L225
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:5s4p, PDBe:5s4p, PDBj:5s4p
PDBsum5s4p
PubMed33951246
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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