Structure of PDB 1kgi Chain A Binding Site BS01

Receptor Information
>1kgi Chain A (length=120) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKCPLMVKVLDAVRGSPAVDVAVKVFKKTADGSWEPFASGKTAESGELHG
LTTDEKFTEGVYRVELDTKSYWKALGISPFHEYAEVVFTANDSGHRHYTI
AALLSPYSYSTTAVVSNPQN
Ligand information
Ligand IDT4A
InChIInChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)
InChIKeyPPJYSSNKSXAVDB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O
CACTVS 3.341OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
ACDLabs 10.04Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)cc(I)c2O
FormulaC14 H8 I4 O4
Name3,3',5,5'-TETRAIODOTHYROACETIC ACID
ChEMBLCHEMBL549748
DrugBankDB01751
ZINCZINC000008681598
PDB chain1kgi Chain C Residue 128 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kgi Complex of rat transthyretin with tetraiodothyroacetic acid refined at 2.1 and 1.8 A resolution.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K15 L17 A109 L110
Binding residue
(residue number reindexed from 1)		K8 L10 A102 L103
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005179 hormone activity
GO:0042562 hormone binding
GO:0042802 identical protein binding
GO:0044877 protein-containing complex binding
GO:0070324 thyroid hormone binding
Biological Process
GO:0006144 purine nucleobase metabolic process
GO:0007165 signal transduction
GO:0042403 thyroid hormone metabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1kgi, PDBe:1kgi, PDBj:1kgi
PDBsum1kgi
PubMed11995998
UniProtP02767|TTHY_RAT Transthyretin (Gene Name=Ttr)

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