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DB00451 : levothyroxine

Approved drug levothyroxine ... 2 targets DB00451

Generic name: levothyroxine PDB Het Group: T44
 
19 structures in PDB
Brand name(s): eltroxin, euthyrox, laevoxin, letter, levaxin, levolet, levothroid, levothyrox, levoxyl, novothyrox, oroxine, synthroid, synthroid sodium, thyratabs, thyrax, thyreoideum, thyro-tabs, thyroxevan, thyroxin, thyroxinal, unithroid.
Formula: C15H11I4No4
IUPAC Formula: (2s)-2-Amino-3-[4-(4-Hydroxy-3,5-Diiodophenoxy)-3,5-Diiodophenyl]propanoic acid
PDB name: 3,5,3',5'-Tetraiodo-L-Thyronine

2
There are 2 target proteins defined in DrugBank for this drug.
 2 
2 of these target proteins have one or more structures in the PDB.
 2 
There are 2 PDB structures of the drug molecule bound to its target protein.
 12 
There are 12 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
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Target proteins

DrugBank drug Target 1:   UniProt id: P10827 (THA_HUMAN)  -  Thyroid hormone receptor alpha
UniProt id: P10827    489 a.a.  
4lnx A   259 a.a. 222   X-ray 2.05 Å
The PDB contains 1 entry of levothyroxine bound to this target protein and 8 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 2:   UniProt id: P10828 (THB_HUMAN)  -  Thyroid hormone receptor beta-1
UniProt id: P10828    460 a.a.  
1y0x X   250 a.a. 247   X-ray 3.10 Å
The PDB contains 1 entry of levothyroxine bound to this target protein and 19 entries of this target protein in all (click on orange, plus icon for list).

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

The black crosses on the secondary structure diagrams indicate where the PDB and UniProt sequences differ.

 

Other proteins with levothyroxine bound in the PDB

There are 5 "non-target" proteins in the PDB containing the levothyroxine molecule bound. That is, the UniProt code for the proteins is missing or does not match any of the drug targets listed above.

Protein 1:   UniProt id: P02766 ()  -  Transthyretin OS=Homo sapiens GN=TTR PE=1 SV=1
UniProt id: P02766    146 a.a.  
1. 1eta 1,2   128 a.a. 127   X-ray 1.70 Å
  2. 1rox A,B   118 a.a. 118   X-ray 2.00 Å
  3. 2rox A,B   118 a.a. 118   X-ray 2.00 Å
  4. 1etb 1,2   118 a.a. 117   X-ray 1.70 Å
  5. 1ict A,B,C,D,...   116 a.a. 116   X-ray 3.00 Å
   more ...
The PDB contains 7 entries of levothyroxine bound to this protein
Protein 2:   UniProt id: P02767 ()  -  Transthyretin OS=Rattus norvegicus GN=Ttr PE=1 SV=1
UniProt id: P02767    146 a.a.  
1ie4 A,B,C,D   120 a.a. 120   X-ray 2.50 Å
The PDB contains 1 entry of levothyroxine bound to this protein
Protein 3:   UniProt id: P05543 ()  -  Thyroxine-binding globulin OS=Homo sapiens GN=SERPINA7 PE=1 SV=2
UniProt id: P05543    414 a.a.  
1. 2ceo A,B   367 a.a. 367   X-ray 2.80 Å
  2. 2riw A   337 a.a. 328   X-ray 2.04 Å
The PDB contains 2 entries of levothyroxine bound to this protein
Protein 4:   UniProt id: Q06S87 ()  -  5-hydroxyisourate hydrolase OS=Danio rerio GN=urah PE=1 SV=1
UniProt id: Q06S87    137 a.a.  
3q1e A,B,C,D   113 a.a. 111   X-ray 1.95 Å
The PDB contains 1 entry of levothyroxine bound to this protein
Protein 5:   UniProt id: Q9PTT3 ()  -  Transthyretin OS=Sparus aurata PE=1 SV=1
UniProt id: Q9PTT3    150 a.a.  
1sn0 A,B,C,D   118 a.a. 117   X-ray 1.90 Å
The PDB contains 1 entry of levothyroxine bound to this protein

Key:    PfamA domain  Secondary structure  Bound drug molecule

The black crosses on the secondary structure diagrams indicate where the PDB and UniProt sequences differ.

Where there is more than one PDB model for a given UniProt sequence, the models are ordered by: 1. decreasing order of similarity to the UniProt sequence, 2. X-ray structures (in order of increasing resolution), NMR structures, and theoretical models. Clicking on any PDB code take you to the corresponding PDBsum page.

 

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