Structure of PDB 7emj Chain B Binding Site BS01

Receptor Information
>7emj Chain B (length=426) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNEAAGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNN
WAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTL
LISKIREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSVHQLVENTDETY
CIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGNADLRK
LAVNMVPFPRLHFFMPGFAPLTSRGQYRALTVPELTQQMFDAKNMMAACD
PRHGRYLTVAAVFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVC
DIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMD
EMEFTEAESNMNDLVSEYQQYQDATA
Ligand information
Ligand IDJ6L
InChIInChI=1S/C23H22O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-12H,1-5H3
InChIKeyOBIUGMGQVQMVSK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(C=Cc2c(ccc3c2OC=C(C3=O)c4cc(c(cc4OC)OC)OC)O1)C
CACTVS 3.385COc1cc(OC)c(cc1OC)C2=COc3c(ccc4OC(C)(C)C=Cc34)C2=O
FormulaC23 H22 O6
Name8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one
ChEMBLCHEMBL3311038
DrugBank
ZINC
PDB chain7emj Chain B Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7emj Crystal structure of T2R-TTL-barbigerone complex
Resolution2.33 Å
Binding residue
(original residue number in PDB)		N167 F169 E200 Y202 V238 L252 L255 M259 A316 I378
Binding residue
(residue number reindexed from 1)		N165 F167 E198 Y200 V236 L248 L251 M255 A310 I364
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7emj, PDBe:7emj, PDBj:7emj
PDBsum7emj
PubMed36610121
UniProtP02554|TBB_PIG Tubulin beta chain

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