Structure of PDB 7cpd Chain B Binding Site BS01

Receptor Information
>7cpd Chain B (length=417) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYY
NEKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGH
YTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLISKI
REEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNE
ALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAV
NMVPFPRLHFFMPGFAPLQYRALTVPELTQQMFDSKNMMAACDPRHGRYL
TVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGL
KMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEA
ESNMNDLVSEYQQYQDA
Ligand information
Ligand IDG9U
InChIInChI=1S/C20H18BrNO/c21-16-8-9-17-15(12-22-19(17)11-16)10-14-6-3-5-13-4-1-2-7-18(13)20(14)23/h1-2,4,7-9,11-12,14,22H,3,5-6,10H2/t14-/m1/s1
InChIKeyUKUKRDMWVWUMNY-CQSZACIVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCCC(C2=O)Cc3c[nH]c4c3ccc(c4)Br
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Br
CACTVS 3.385Brc1ccc2c(C[CH]3CCCc4ccccc4C3=O)c[nH]c2c1
CACTVS 3.385Brc1ccc2c(C[C@H]3CCCc4ccccc4C3=O)c[nH]c2c1
FormulaC20 H18 Br N O
Name(6R)-6-[(6-bromanyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
ChEMBL
DrugBank
ZINC
PDB chain7cpd Chain B Residue 501 [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]
PDB7cpd Crystal structure of T2R-TTL-(+)-6-Br-JP18 complex
Resolution2.506 Å
Binding residue
(original residue number in PDB)		C241 L242 L248 A250 N258 N350 K352
Binding residue
(residue number reindexed from 1)		C234 L235 L241 A243 N251 N337 K339
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7cpd, PDBe:7cpd, PDBj:7cpd
PDBsum7cpd
PubMed
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

[Back to BioLiP]