Structure of PDB 5s4y Chain B Binding Site BS03

Receptor Information
>5s4y Chain B (length=426) 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
RKLAVNMVPFPRLHFFMPGFAPLTSQYRALTVPELTQQMFDSKNMMAACD
PRHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVC
DIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMD
EMEFTEAESNMNDLVSEYQQYQDATA
Ligand information
Ligand IDNSJ
InChIInChI=1S/C11H15NOS/c13-11-3-1-2-10(8-11)9-12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2
InChIKeyNSDQSEGFFDPDRA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cccc(CN2CCSCC2)c1
OpenEye OEToolkits 2.0.6c1cc(cc(c1)O)CN2CCSCC2
ACDLabs 12.01N1(CCSCC1)Cc2cccc(c2)O
FormulaC11 H15 N O S
Name3-[(thiomorpholin-4-yl)methyl]phenol
ChEMBL
DrugBank
ZINCZINC000000237165
PDB chain5s4y Chain B Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5s4y Comprehensive Analysis of Binding Sites in Tubulin.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		V195 T198 D199 P263
Binding residue
(residue number reindexed from 1)		V193 T196 D197 P261
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5s4y, PDBe:5s4y, PDBj:5s4y
PDBsum5s4y
PubMed33951246
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

[Back to BioLiP]