Structure of PDB 8ve5 Chain B Binding Site BS01

Receptor Information
>8ve5 Chain B (length=117) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGL
TTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIA
ALLSPYSYSTTAVVTNP
Ligand information
Ligand IDP2C
InChIInChI=1S/C13H9Cl2NO5/c14-9-5-7(6-10(15)12(9)20-21-19)16-11-4-2-1-3-8(11)13(17)18/h1-6,16,19H,(H,17,18)
InChIKeySNAMTVTZDPUVRA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl
ACDLabs 10.04Clc1cc(cc(Cl)c1OOO)Nc2ccccc2C(=O)O
CACTVS 3.341OOOc1c(Cl)cc(Nc2ccccc2C(O)=O)cc1Cl
FormulaC13 H9 Cl2 N O5
Name2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID;
2-[3,5-DICHLORO-4-(2-{2-[2(2-MERCAPTOETHOXY)ETHOXY]ETHOXY}ETHOXY)PHENYLAMINO]BENZOIC ACID
ChEMBL
DrugBankDB04756
ZINCZINC000014881299
PDB chain8ve5 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

[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]
PDB8ve5 The conformational landscape of human transthyretin revealed by cryo-EM
Resolution3.4 Å
Binding residue
(original residue number in PDB)		K15 L17 A108 A109 T119
Binding residue
(residue number reindexed from 1)		K7 L9 A100 A101 T111
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ve5, PDBe:8ve5, PDBj:8ve5
PDBsum8ve5
PubMed
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

[Back to BioLiP]