Structure of PDB 7cpq Chain B Binding Site BS01

Receptor Information
>7cpq Chain B (length=420) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYY
NEAGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWA
KGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLI
SKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYCI
DNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRK
LAVNMVPFPRLHFFMPGFAPLQYRALTVPELTQQMFDSKNMMAACDPRHG
RYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPP
RGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEF
TEAESNMNDLVSEYQQYQDA
Ligand information
Ligand IDG9X
InChIInChI=1S/C20H18ClNO/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
InChIKeyGVUXLVCNOFJITN-CQSZACIVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCCC(C2=O)Cc3c[nH]c4c3ccc(c4)Cl
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Cl
CACTVS 3.385Clc1ccc2c(C[CH]3CCCc4ccccc4C3=O)c[nH]c2c1
CACTVS 3.385Clc1ccc2c(C[C@H]3CCCc4ccccc4C3=O)c[nH]c2c1
FormulaC20 H18 Cl N O
Name(6R)-6-[(6-chloranyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
ChEMBL
DrugBank
ZINC
PDB chain7cpq Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cpq crystal structure of T2R-TTL-(+)-6-Cl-JP18 complex
Resolution2.595 Å
Binding residue
(original residue number in PDB)		V238 C241 L242 L248 A250 L255 N258 M259 N350 K352
Binding residue
(residue number reindexed from 1)		V234 C237 L238 L244 A246 L251 N254 M255 N340 K342
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
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Cellular Component
External links
PDB RCSB:7cpq, PDBe:7cpq, PDBj:7cpq
PDBsum7cpq
PubMed
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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