Structure of PDB 6zwc Chain B Binding Site BS02

Receptor Information
>6zwc Chain B (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 IDQRQ
InChIInChI=1S/C18H19NO3S/c1-20-14-10-12(11-15(21-2)18(14)22-3)8-9-17-19-13-6-4-5-7-16(13)23-17/h4-7,10-11H,8-9H2,1-3H3
InChIKeyFTRLQDNXNMGZPN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(cc(c1OC)OC)CCc2nc3ccccc3s2
CACTVS 3.385COc1cc(CCc2sc3ccccc3n2)cc(OC)c1OC
FormulaC18 H19 N O3 S
Name2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole
ChEMBL
DrugBank
ZINC
PDB chain6zwc Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zwc A Robust, GFP-Orthogonal Photoswitchable Inhibitor Scaffold Extends Optical Control over the Microtubule Cytoskeleton.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		C241 L242 L255 N258 V315 I318 N350 K352
Binding residue
(residue number reindexed from 1)		C239 L240 L253 N256 V313 I316 N348 K350
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
View graph for
Cellular Component
External links
PDB RCSB:6zwc, PDBe:6zwc, PDBj:6zwc
PDBsum6zwc
PubMed33275880
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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