Structure of PDB 7dt6 Chain B Binding Site BS01

Receptor Information
>7dt6 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]
CPLMVKVLDAVRGSPAINVAMHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTN
Ligand information
Ligand ID9TF
InChIInChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChIKeyBBNQQADTFFCFGB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O
ACDLabs 12.01c2cc1C(c3c(c(cc(c3C(c1cc2)=O)O)O)O)=O
FormulaC14 H8 O5
NamePurpurin
ChEMBLCHEMBL294264
DrugBank
ZINCZINC000003861633
PDB chain7dt6 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7dt6 Inhibitory activities of anthraquinone and xanthone derivatives against transthyretin amyloidogenesis.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		K15 L17 A108 T119
Binding residue
(residue number reindexed from 1)		K6 L8 A99 T110
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7dt6, PDBe:7dt6, PDBj:7dt6
PDBsum7dt6
PubMed34225167
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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