Structure of PDB 1kgi Chain C Binding Site BS01

Receptor Information
>1kgi Chain C (length=121) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESKCPLMVKVLDAVRGSPAVDVAVKVFKKTADGSWEPFASGKTAESGELH
GLTTDEKFTEGVYRVELDTKSYWKALGISPFHEYAEVVFTANDSGHRHYT
IAALLSPYSYSTTAVVSNPQN
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)		K415 L417 A508 A509 L510 S517 T518 T519
Binding residue
(residue number reindexed from 1)		K9 L11 A102 A103 L104 S111 T112 T113
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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