Structure of PDB 2qge Chain B Binding Site BS01

Receptor Information
>2qge Chain B (length=114) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTT
EEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAAL
LSPYSYSTTAVVTN
Ligand information
Ligand IDMR6
InChIInChI=1S/C15H13NO/c1-10-7-11(2)9-12(8-10)15-16-13-5-3-4-6-14(13)17-15/h3-9H,1-2H3
InChIKeyBIHLSRJPJFOESJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n1c3ccccc3oc1c2cc(cc(c2)C)C
CACTVS 3.341Cc1cc(C)cc(c1)c2oc3ccccc3n2
OpenEye OEToolkits 1.5.0Cc1cc(cc(c1)c2nc3ccccc3o2)C
FormulaC15 H13 N O
Name2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE
ChEMBLCHEMBL255069
DrugBankDB08207
ZINCZINC000016052440
PDB chain2qge Chain B Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qge Biochemical and structural evaluation of highly selective 2-arylbenzoxazole-based transthyretin amyloidogenesis inhibitors.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		K15 L17 L110 S117
Binding residue
(residue number reindexed from 1)		K5 L7 L100 S107
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005179 hormone activity
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0070324 thyroid hormone binding
Biological Process
GO:0006144 purine nucleobase metabolic process
GO:0007165 signal transduction
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0035578 azurophil granule lumen
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2qge, PDBe:2qge, PDBj:2qge
PDBsum2qge
PubMed18095641
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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