Structure of PDB 8riv Chain A Binding Site BS03

Receptor Information
>8riv Chain A (length=437) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNT
FFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAAN
NYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFTS
LLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCA
FMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVD
LTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQ
MVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTGF
KVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAK
RAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGVD
Ligand information
Ligand IDA1H01
InChIInChI=1S/C18H18FNO6S/c1-10-7-12-13(20-10)5-6-14(17(12)19)26-27(21,22)11-8-15(23-2)18(25-4)16(9-11)24-3/h5-9,20H,1-4H3
InChIKeyPNOAFBNIWZMXQD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cc(cc(OC)c1OC)[S](=O)(=O)Oc2ccc3[nH]c(C)cc3c2F
OpenEye OEToolkits 2.0.7Cc1cc2c([nH]1)ccc(c2F)OS(=O)(=O)c3cc(c(c(c3)OC)OC)OC
FormulaC18 H18 F N O6 S
Name(4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate
ChEMBL
DrugBank
ZINC
PDB chain8riv Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8riv Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Resolution2.78 Å
Binding residue
(original residue number in PDB)		T179 V181
Binding residue
(residue number reindexed from 1)		T178 V180
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:8riv, PDBe:8riv, PDBj:8riv
PDBsum8riv
PubMed38487227
UniProtP81947|TBA1B_BOVIN Tubulin alpha-1B chain

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