Structure of PDB 2b77 Chain B Binding Site BS01

Receptor Information
>2b77 Chain B (length=112) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGRYTIAALL
SPYSYSTTAVVT
Ligand information
Ligand ID3CA
InChIInChI=1S/C13H8Cl2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
InChIKeySKAFZYDMDHPPJM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Clc2cc(Cl)ccc2c1ccc(O)c(C(=O)O)c1
CACTVS 3.341OC(=O)c1cc(ccc1O)c2ccc(Cl)cc2Cl
OpenEye OEToolkits 1.5.0c1cc(c(cc1c2ccc(cc2Cl)Cl)C(=O)O)O
FormulaC13 H8 Cl2 O3
Name2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID
ChEMBLCHEMBL123154
DrugBankDB07047
ZINCZINC000016051803
PDB chain2b77 Chain B Residue 239 [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]
PDB2b77 Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		K15 L110
Binding residue
(residue number reindexed from 1)		K6 L99
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2b77, PDBe:2b77, PDBj:2b77
PDBsum2b77
PubMed14711308
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

[Back to BioLiP]