1N46: Human tr beta ligand-binding domain

Crystal structure of human tr beta ligand-binding domain complexed with a potent subtype-selective thyromimetic. Determined by X-ray diffraction at 2.2 Å resolution. Released 22 Apr 2003.

Method: X-ray diffraction
Resolution: 2.2 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,040
Mol. weight: 59.04 kDa
Ligands: PFA
Released: 22 Apr 2003

Explore 1N46 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1N46 contains 29 α-helices and 8 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: 16 helices, 5 β-strands

Element	Residues	Length	Sheet
α-helix	212-215	4
α-helix	216-230	15
β-strand	244-245	2	1
α-helix	246-247	2
α-helix	266-273	8
α-helix	276-288	13
α-helix	293-295	3
α-helix	298-319	22
β-strand	322	1	2
β-strand	327	1	2
β-strand	328-330	3	1
β-strand	334-336	3	1
α-helix	338-341	4
α-helix	342-346	5
α-helix	349-360	12
α-helix	361-363	3
α-helix	367-378	12
α-helix	389-410	22
α-helix	417-445	29
α-helix	448-450	3
α-helix	453-459	7

Chain B: 13 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	216-230	15
α-helix	266-288	23
α-helix	291-295	5
α-helix	298-319	22
β-strand	321-322	2	3
β-strand	327-330	4	3
β-strand	334-337	4	3
α-helix	338-341	4
α-helix	342-346	5
α-helix	348-360	13
α-helix	361-363	3
α-helix	367-378	12
α-helix	389-408	20
α-helix	417-445	29
α-helix	448-450	3
α-helix	453-459	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Thyroid hormone receptor Beta-1	A, B	protein	258	Homo sapiens	P10828 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>1N46_1 Thyroid hormone receptor Beta-1 (chains A, B)
LQKSIGHKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGK
VDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDP
ESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDR
PGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMK
VECPTELFPPLFLEVFED

Ligands and cofactors

ID	Name	Formula	Copies
PFA	[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-6-azauracil	C20 H21 N3 O4	2

Primary citation

Discovery of a Novel Series of 6-Azauracil-Based Thyroid Hormone Receptor Ligands: Potent, TRbeta Subtype-Selective Thyromimetics. Dow, R.L., Schneider, S.R., Paight, E.S. et al. Bioorg Med Chem Lett (2003) 13:379-382. DOI 10.1016/S0960-894X(02)00947-2 · 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
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
3JZC 2.5 Å, Crystal Structure of TR-beta bound to the selective thyromimetic TRIAC

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