Structure of PDB 5s50 Chain D Binding Site BS02

Receptor Information
>5s50 Chain D (length=431) 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
RKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDSKNMM
AACDPRHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVK
TAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTG
EGMDEMEFTEAESNMNDLVSEYQQYQDATAD
Ligand information
Ligand IDWZD
InChIInChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15)
InChIKeyVVXTVMPZTWGDLF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)[nH]c(n2)NCc3ccco3
CACTVS 3.385C(Nc1[nH]c2ccccc2n1)c3occc3
ACDLabs 12.01c1cccc2c1nc(n2)NCc3ccco3
FormulaC12 H11 N3 O
NameN-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine
ChEMBLCHEMBL5191268
DrugBank
ZINCZINC000000513005
PDB chain5s50 Chain D Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s50 Comprehensive Analysis of Binding Sites in Tubulin.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		Q136 N167 F169 E200 Y202 V238 T239 L242 L255 M259 A316 I378
Binding residue
(residue number reindexed from 1)		Q134 N165 F167 E198 Y200 V236 T237 L240 L253 M257 A314 I368
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:5s50, PDBe:5s50, PDBj:5s50
PDBsum5s50
PubMed33951246
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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