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Structure of PDB 4ik6 Chain B Binding Site BS01

Receptor Information
>4ik6 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
Ligand IDLUR
InChIInChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyKHPKQFYUPIUARC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Clc2cccc(F)c2Nc1ccc(cc1CC(=O)O)C
OpenEye OEToolkits 1.7.6Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F
CACTVS 3.370Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1
FormulaC15 H13 Cl F N O2
Name{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid;
Lumiracoxib
ChEMBLCHEMBL404108
DrugBankDB01283
ZINCZINC000000007563
PDB chain4ik6 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ik6 Crystal structure of human transthyretin in complex with lumiracoxib
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K15 L17 A108
Binding residue
(residue number reindexed from 1)		K6 L8 A99
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4ik6, PDBe:4ik6, PDBj:4ik6
PDBsum4ik6
PubMed
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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