9IX5: Thyroid hormone receptor beta

An agonist(compound 15n) of Thyroid Hormone Receptor B. Determined by X-ray diffraction at 2.65 Å resolution. Released 2 Jul 2025.

Method: X-ray diffraction
Resolution: 2.65 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,015
Mol. weight: 31.16 kDa
Ligands: A1EAC
Released: 2 Jul 2025

Explore 9IX5 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9IX5 contains 15 α-helices and 3 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 14 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	212-215	4
α-helix	216-231	16
α-helix	266-273	8
α-helix	277-288	12
α-helix	291-294	4
α-helix	298-318	21
β-strand	322	1	1
β-strand	327-330	4	1
β-strand	334-337	4	1
α-helix	338-341	4
α-helix	342-346	5
α-helix	348-359	12
α-helix	367-378	12
α-helix	389-410	22
α-helix	417-442	26
α-helix	448-450	3
α-helix	453-458	6

Chain B: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	743-749	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Thyroid hormone receptor beta	A	protein	259	Homo sapiens	P10828 (AlphaFold model)
Nuclear receptor coactivator 2	B	protein	12	Homo sapiens	Q15596 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>9IX5_1 Thyroid hormone receptor beta (chains A)
ELQKSIGHKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGG
KVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYD
PESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSD
RPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHM
KVECPTELFPPLFLEVFED

Sequence of entity 2 (B), FASTA

>9IX5_2 Nuclear receptor coactivator 2 (chains B)
ENALLRYLLDKD

Ligands and cofactors

ID	Name	Formula	Copies
A1EAC	2-[(1-methoxy-7-naphthalen-2-yloxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]et…	C23 H18 N2 O6	1

Primary citation

Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist. Li, Q., Yao, B., Zhao, S. et al. J Med Chem (2025) 68:13471-13490. DOI 10.1021/acs.jmedchem.5c00164 · PubMed

Other PDB entries of the same protein (UniProt P10828 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6KKB 1.7 Å, A novel agonist of THRb
2NLL 1.9 Å, Retinoid X receptor-thyroid hormone receptor DNA-binding domain heterodimer bound to…
7WMH 1.97 Å, A novel chemical derivative(56) of THRB agonist
1N46 2.2 Å, Crystal structure of human tr beta ligand-binding domain complexed with a potent…
2J4A 2.2 Å, Human Thyroid hormone receptor beta ligand binding domain in complex with KB131084
3D57 2.2 Å, TR Variant D355R
3GWS 2.2 Å, Crystal Structure of T3-Bound Thyroid Hormone Receptor
2PIN 2.3 Å, Thyroid receptor beta in complex with inhibitor
7WLX 2.39 Å, A novel chemical derivative(53) of THRB agonist
1NQ0 2.4 Å, TR Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release…
1NQ2 2.4 Å, Two RTH Mutants with Impaired Hormone Binding
1XZX 2.5 Å, Thyroxine-Thyroid Hormone Receptor Interactions

Browse structure collections

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