Structure of PDB 5s67 Chain C Binding Site BS03

Receptor Information
>5s67 Chain C (length=440) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFN
TFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAA
NNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFT
SLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDC
AFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNV
DLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPAN
QMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTG
FKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYA
KRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGVDSV
Ligand information
Ligand IDX1M
InChIInChI=1S/C8H12N2O/c1-9-6-7-4-3-5-8(10-7)11-2/h3-5,9H,6H2,1-2H3
InChIKeyZCDSYDMWOVSOBD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1(nc(OC)ccc1)CNC
CACTVS 3.385CNCc1cccc(OC)n1
OpenEye OEToolkits 2.0.7CNCc1cccc(n1)OC
FormulaC8 H12 N2 O
Name1-(6-methoxypyridin-2-yl)-N-methylmethanamine
ChEMBLCHEMBL4558231
DrugBank
ZINCZINC000051523626
PDB chain5s67 Chain E Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s67 Comprehensive Analysis of Binding Sites in Tubulin.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S158 G162 K163 E196 H197 D199
Binding residue
(residue number reindexed from 1)		S158 G162 K163 E196 H197 D199
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005200 structural constituent of cytoskeleton
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0007017 microtubule-based process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
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:5s67, PDBe:5s67, PDBj:5s67
PDBsum5s67
PubMed33951246
UniProtP81947|TBA1B_BOVIN Tubulin alpha-1B chain

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