2PIN: Thyroid receptor beta

Name: PDB 2PIN: Thyroid receptor beta in complex with inhibitor
Published: 2008-02-26
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: hormone receptor

Thyroid receptor beta in complex with inhibitor. Determined by X-ray diffraction at 2.3 Å resolution. Released 26 Feb 2008.

Method: X-ray diffraction
Resolution: 2.3 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,326
Mol. weight: 59.02 kDa
Ligands: 4HY, LEG
Released: 26 Feb 2008

Explore 2PIN in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2PIN contains 31 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: 14 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	211-214	4
α-helix	216-231	16
β-strand	244-245	2	1
α-helix	266-273	8
α-helix	276-288	13
α-helix	291-294	4
α-helix	298-318	21
β-strand	321-322	2	1
β-strand	327-330	4	1
β-strand	334-336	3	1
α-helix	338-341	4
α-helix	342-346	5
α-helix	349-359	11
α-helix	367-378	12
α-helix	389-410	22
α-helix	417-445	29
α-helix	448-450	3
α-helix	453-458	6

Chain B: 17 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	212-215	4
α-helix	216-230	15
α-helix	239-242	4
β-strand	244-245	2	2
α-helix	252-254	3
α-helix	266-273	8
α-helix	276-288	13
α-helix	291-295	5
α-helix	298-318	21
β-strand	321-322	2	2
β-strand	327-330	4	2
β-strand	334-337	4	2
α-helix	338-341	4
α-helix	342-346	5
α-helix	348-359	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	453-457	5

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Thyroid hormone receptor beta-1	A, B	protein	253	Homo sapiens	P10828 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>2PIN_1 Thyroid hormone receptor beta-1 (chains A, B)
GHKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGKVDLEA
FSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETL
TLNGEMAVTRGQLKNGGLGVVSDAIFRLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLAC
VERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPT
ELFPPLFLEVFED

Ligands and cofactors

ID	Name	Formula	Copies
4HY	[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-acetic acid	C14 H9 I3 O4	2
LEG	1-(4-hexylphenyl)prop-2-en-1-one	C15 H20 O	2

Water and common crystallization additives (SO4) are not listed.

Primary citation

Structural insight into the mode of action of a direct inhibitor of coregulator binding to the thyroid hormone receptor. Estebanez-Perpina, E., Arnold, L.A., Jouravel, N. et al. Mol Endocrinol (2007) 21:2919-2928. DOI 10.1210/me.2007-0174 · 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
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

Browse structure collections

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