Structure of PDB 8ig1 Chain B Binding Site BS01

Receptor Information
>8ig1 Chain B (length=114) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVT
Ligand information
Ligand IDOX9
InChIInChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)
InChIKeyNEMNPWINWMHUMR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1Oc2ccc(cc2Cl)NC(=O)c3cc(cc(c3O)I)I)Cl
CACTVS 3.385Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2
FormulaC19 H11 Cl2 I2 N O3
Name~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide;
rafoxanide
ChEMBLCHEMBL287542
DrugBank
ZINCZINC000004181896
PDB chain8ig1 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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PDB8ig1 Rafoxanide, a Salicylanilide Anthelmintic, Interacts with Human Plasma Protein Transthyretin.
Resolution1.451 Å
Binding residue
(original residue number in PDB)		K15 L17 T106 V121
Binding residue
(residue number reindexed from 1)		K6 L8 T97 V112
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8ig1, PDBe:8ig1, PDBj:8ig1
PDBsum8ig1
PubMed37522420
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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