Structure of PDB 7xr0 Chain D Binding Site BS02

Receptor Information
>7xr0 Chain D (length=420) 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
KLAVNMVPFPRLHFFMPGFAPLLTVPELTQQMFDSKNMMAACDPRHGRYL
TVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGL
KMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEA
ESNMNDLVSEYQQYQDATAD
Ligand information
Ligand IDGWC
InChIInChI=1S/C16H13ClFN3O/c1-21(10-6-8-11(22-2)9-7-10)15-14-12(18)4-3-5-13(14)19-16(17)20-15/h3-9H,1-2H3
InChIKeyRBKSQTIPGBFFEK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(c1ccc(cc1)OC)c2c3c(cccc3F)nc(n2)Cl
CACTVS 3.385COc1ccc(cc1)N(C)c2nc(Cl)nc3cccc(F)c23
FormulaC16 H13 Cl F N3 O
Name2-chloranyl-5-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine
ChEMBL
DrugBank
ZINC
PDB chain7xr0 Chain D Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xr0 Crystal structure of T2R-TTL-27a complex
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C239 A248 K252 L253 N256 A315 I316 K350 A352
Binding residue
(residue number reindexed from 1)		C238 A247 K251 L252 N255 A304 I305 K339 A341
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:7xr0, PDBe:7xr0, PDBj:7xr0
PDBsum7xr0
PubMed
UniProtP02554|TBB_PIG Tubulin beta chain

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