Structure of PDB 7dt3 Chain A Binding Site BS02

Receptor Information
>7dt3 Chain A (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 IDHG6
InChIInChI=1S/C15H7ClO4/c16-11-6-7(15(19)20)5-10-12(11)14(18)9-4-2-1-3-8(9)13(10)17/h1-6H,(H,19,20)
InChIKeyWRJVLGUSGCVLDE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O
CACTVS 3.385OC(=O)c1cc(Cl)c2C(=O)c3ccccc3C(=O)c2c1
FormulaC15 H7 Cl O4
Name4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
ChEMBLCHEMBL4849950
DrugBank
ZINC
PDB chain7dt3 Chain A Residue 202 [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]
PDB7dt3 Inhibitory activities of anthraquinone and xanthone derivatives against transthyretin amyloidogenesis.
Resolution1.198 Å
Binding residue
(original residue number in PDB)		K15 A108 L110 S117
Binding residue
(residue number reindexed from 1)		K5 A98 L100 S107
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7dt3, PDBe:7dt3, PDBj:7dt3
PDBsum7dt3
PubMed34225167
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

[Back to BioLiP]