Structure of PDB 7dt5 Chain B Binding Site BS02

Receptor Information

>7dt5 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

InChI=1S/C14H7ClO4/c15-10-6-7(14(17)18)5-9-12(16)8-3-1-2-4-11(8)19-13(9)10/h1-6H,(H,17,18)

XMSOQTUJOFAGGK-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O
CACTVS 3.385	OC(=O)c1cc(Cl)c2Oc3ccccc3C(=O)c2c1

Formula

C14 H7 Cl O4

Name

4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid

PDB chain

7dt5 Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	7dt5 Inhibitory activities of anthraquinone and xanthone derivatives against transthyretin amyloidogenesis.
Resolution	1.25 Å
Binding residue (original residue number in PDB)	K15 L17 A108 V121
Binding residue (residue number reindexed from 1)	K6 L8 A99 V112
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7dt5, PDBe:7dt5, PDBj:7dt5
PDBsum	7dt5
PubMed	34225167
UniProt	P02766\|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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