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MolNFT v1 · #67526 · protein

Structure of tr-beta bound to selective thyromimetic gc-1

3IMY · Thyroid hormone receptor beta: “Structure of tr-beta bound to selective thyromimetic gc-1”. X-ray diffraction, 1 ligand (B72), 3 pockets (best druggability 0.83). MolNFT v1 #67526 on GenesisL1: 3D structure, binding sites and…

PDB
3IMY
Type
protein
Length
251 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thyroid hormone receptor beta
UniProt
P10828
Ligands
B72
Pockets
3 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThyroid hormone receptor betaprotein25167% helix, 4% strandP10828

Ligands and binding sites

  • B72 · {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11940.830.9732B72
21270.430.7720empty
31210.390.7416empty

Modifications

Observed in the structure: 3 modified (artifact).

Compared structures

  • 3IMY · Structure of TR-beta bound to selective thyromimetic GC-1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P10828 · AlphaFold monomer V2.0 prediction for thyroid hormone receptor beta (P10828) · a predicted model of the same protein · chain A against A, TM-score 0.96

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