Structure of PDB 5e4a Chain A Binding Site BS01

Receptor Information
>5e4a Chain A (length=116) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTNP
Ligand information
Ligand ID5JW
InChIInChI=1S/C15H9Cl2NO3/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(12(10)5-8)18-21-7-14(19)20/h1-6H,7H2,(H,19,20)
InChIKeyBZMUZKQLRPSKDP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CON=C1c2cc(Cl)ccc2c3ccc(Cl)cc13
ACDLabs 12.01Clc2ccc3c1ccc(cc1C(\c3c2)=N/OCC(O)=O)Cl
OpenEye OEToolkits 1.9.2c1cc-2c(cc1Cl)C(=NOCC(=O)O)c3c2ccc(c3)Cl
FormulaC15 H9 Cl2 N O3
Name{[(2,7-dichloro-9H-fluoren-9-ylidene)amino]oxy}acetic acid
ChEMBL
DrugBank
ZINCZINC000584904768
PDB chain5e4a Chain A 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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PDB5e4a Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR).
Resolution1.33 Å
Binding residue
(original residue number in PDB)		K15 L17 A108 S117 T119 V121
Binding residue
(residue number reindexed from 1)		K6 L8 A99 S108 T110 V112
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5e4a, PDBe:5e4a, PDBj:5e4a
PDBsum5e4a
PubMed27067161
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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