Structure of PDB 7cda Chain B Binding Site BS02

Receptor Information
>7cda Chain B (length=427) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYY
NEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNW
AKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLL
ISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYC
IDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLR
KLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDSKNMMA
ACDPRHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKT
AVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGE
GMDEMEFTEAESNMNDLVSEYQQYQDA
Ligand information
Ligand IDAEU
InChIInChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-19-10-6-7-17(13-19)15-25-24-14-21-20-11-4-5-12-22(20)27-23(21)16-26-24/h1-14,16,27H,15H2,(H,25,26)
InChIKeyDMCDUELFWCRWHE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C(Nc1cc2c([nH]c3ccccc23)cn1)c4cccc(Oc5ccccc5)c4
ACDLabs 12.01c1c5c(cc(n1)NCc2cccc(c2)Oc3ccccc3)c4ccccc4n5
OpenEye OEToolkits 2.0.6c1ccc(cc1)Oc2cccc(c2)CNc3cc4c5ccccc5[nH]c4cn3
FormulaC24 H19 N3 O
NameN-[(3-phenoxyphenyl)methyl]-9H-beta-carbolin-3-amine
ChEMBLCHEMBL1808759
DrugBank
ZINCZINC000072175801
PDB chain7cda Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7cda Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
Resolution2.659 Å
Binding residue
(original residue number in PDB)		Q134 T136 F167 E198 Y200 M233 V236 L250 L253 M257 A314 I316
Binding residue
(residue number reindexed from 1)		Q133 T135 F166 E197 Y199 M232 V235 L249 L252 M256 A313 I315
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005200 structural constituent of cytoskeleton
GO:0005515 protein binding
GO:0005525 GTP binding
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:0005856 cytoskeleton
GO:0005874 microtubule

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7cda, PDBe:7cda, PDBj:7cda
PDBsum7cda
PubMed35762925
UniProtP02554|TBB_PIG Tubulin beta chain

[Back to BioLiP]