Structure of PDB 5s4l Chain D Binding Site BS02

Receptor Information
>5s4l 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 IDWV1
InChIInChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyCELFORIQAQLUCB-MRVPVSSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H](c1ccc(cc1)NC(=O)C2CC2)N
CACTVS 3.385C[C@@H](N)c1ccc(NC(=O)C2CC2)cc1
ACDLabs 12.01c2c(NC(=O)C1CC1)ccc(c2)C(C)N
OpenEye OEToolkits 2.0.7CC(c1ccc(cc1)NC(=O)C2CC2)N
CACTVS 3.385C[CH](N)c1ccc(NC(=O)C2CC2)cc1
FormulaC12 H16 N2 O
NameN-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide
ChEMBL
DrugBank
ZINCZINC000020282196
PDB chain5s4l Chain D Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s4l Comprehensive Analysis of Binding Sites in Tubulin.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D211 R215 T216 K299
Binding residue
(residue number reindexed from 1)		D209 R213 T214 K297
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:5s4l, PDBe:5s4l, PDBj:5s4l
PDBsum5s4l
PubMed33951246
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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