Structure of PDB 4act Chain B Binding Site BS01

Receptor Information
>4act Chain B (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTN
Ligand information
Ligand IDFT0
InChIInChI=1S/C13H10O3/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h1-9,15H
InChIKeyMYXBTODVMFBVIC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352Oc1cc(C=O)ccc1Oc2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)Oc2ccc(cc2O)C=O
FormulaC13 H10 O3
Name3-hydroxy-4-phenoxybenzaldehyde
ChEMBLCHEMBL240949
DrugBank
ZINCZINC000028871069
PDB chain4act Chain B Residue 1125 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4act Crystallographic Study of Novel Transthyretin Inhibitors: Unique Mechanism of Negative-Cooperativity between Two T4 Binding Sites
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K15 A108 A109 S117 T118 T119
Binding residue
(residue number reindexed from 1)		K6 A99 A100 S108 T109 T110
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:4act, PDBe:4act, PDBj:4act
PDBsum4act
PubMed
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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