Structure of PDB 1tlm Chain B Binding Site BS01

Receptor Information
>1tlm Chain B (length=120) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHG
LTTEEQFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTI
AALLSPYSYSTTAVVTNPKE
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 B 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 A108 L110 S117 T118
Binding residue
(residue number reindexed from 1)		L10 A101 L103 S110 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

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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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