Structure of PDB 5s55 Chain D Binding Site BS02

Receptor Information
>5s55 Chain D (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
RKLAVNMVPFPRLHFFMPGFAPLTSRGSLTVPELTQQMFDSKNMMAACDP
RHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCD
IPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDE
MEFTEAESNMNDLVSEYQQYQDATAD
Ligand information
Ligand IDWZP
InChIInChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyPVZWQFPZWARZQU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1CN(C(C(C)C)=O)CCN1C(C)C
CACTVS 3.385CC(C)N1CCN(CC1)C(=O)C(C)C
OpenEye OEToolkits 2.0.7CC(C)C(=O)N1CCN(CC1)C(C)C
FormulaC11 H22 N2 O
Name2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
ChEMBL
DrugBank
ZINCZINC000065539364
PDB chain5s55 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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PDB5s55 Comprehensive Analysis of Binding Sites in Tubulin.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R158 D163 D199
Binding residue
(residue number reindexed from 1)		R156 D161 D197
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:5s55, PDBe:5s55, PDBj:5s55
PDBsum5s55
PubMed33951246
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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