Structure of PDB 5s5t Chain B Binding Site BS02

Receptor Information
>5s5t Chain B (length=421) 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
CIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPADLRKLA
VNMVPFPRLHFFMPGFAPLTSRQQYRALTVPELTQQMFDSKNMMAACDPR
HGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDI
PPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEM
EFTEAESNMNDLVSEYQQYQD
Ligand information
Ligand IDO1M
InChIInChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
InChIKeyXARVCWHXIZRCGB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N2(C(N)=O)CCN(c1ccc(cc1)F)CC2
OpenEye OEToolkits 2.0.6c1cc(ccc1N2CCN(CC2)C(=O)N)F
CACTVS 3.385NC(=O)N1CCN(CC1)c2ccc(F)cc2
FormulaC11 H14 F N3 O
Name4-(4-fluorophenyl)piperazine-1-carboxamide
ChEMBL
DrugBank
ZINCZINC000000386756
PDB chain5s5t Chain B Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s5t Comprehensive Analysis of Binding Sites in Tubulin.
Resolution2.53 Å
Binding residue
(original residue number in PDB)		V177 P222 T223 Y224
Binding residue
(residue number reindexed from 1)		V175 P220 T221 Y222
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:5s5t, PDBe:5s5t, PDBj:5s5t
PDBsum5s5t
PubMed33951246
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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