Structure of PDB 1tlm Chain A Binding Site BS01

Receptor Information
>1tlm Chain A (length=123) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGE
LHGLTTEEQFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRR
YTIAALLSPYSYSTTAVVTNPKE
Ligand information
Ligand IDMIL
InChIInChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
InChIKeyPZRHRDRVRGEVNW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C=C(C(=O)N1)C#N)c2ccncc2
CACTVS 3.341CC1=C(C=C(C#N)C(=O)N1)c2ccncc2
ACDLabs 10.04N#CC1=CC(=C(NC1=O)C)c2ccncc2
FormulaC12 H9 N3 O
NameMILRINONE
ChEMBLCHEMBL189
DrugBankDB00235
ZINCZINC000009224016
PDB chain1tlm Chain A Residue 128 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tlm Structural aspects of inotropic bipyridine binding. Crystal structure determination to 1.9 A of the human serum transthyretin-milrinone complex.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L17 L110 S117 T118
Binding residue
(residue number reindexed from 1)		L13 L106 S113 T114
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:1tlm, PDBe:1tlm, PDBj:1tlm
PDBsum1tlm
PubMed8454595
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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