Structure of PDB 7yyy Chain B Binding Site BS02

Receptor Information
>7yyy Chain B (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 IDVYT
InChIInChI=1S/C16H18N2O5/c1-20-13-6-5-10(7-12(13)19)17-18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9,19H,1-4H3/b18-17+
InChIKeyAIRZFEKQGRSBNX-ISLYRVAYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1O)/N=N/c2cc(c(c(c2)OC)OC)OC
CACTVS 3.385COc1ccc(cc1O)N=Nc2cc(OC)c(OC)c(OC)c2
OpenEye OEToolkits 2.0.7COc1ccc(cc1O)N=Nc2cc(c(c(c2)OC)OC)OC
FormulaC16 H18 N2 O5
NameAzo-Combretastatin A4 (trans);
2-methoxy-5-[(E)-(3,4,5-trimethoxyphenyl)diazenyl]phenol
ChEMBLCHEMBL4165093
DrugBank
ZINC
PDB chain7yyy 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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PDB7yyy Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L240 L246 L253 N256 M257 N348 K350
Binding residue
(residue number reindexed from 1)		L240 L246 L253 N256 M257 N343 K345
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

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7yyy, PDBe:7yyy, PDBj:7yyy
PDBsum7yyy
PubMed36807348
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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