6KKB: A novel agonist of THRb

A novel agonist of THRb. Determined by X-ray diffraction at 1.7 Å resolution. Released 23 Oct 2019.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,374
Mol. weight: 29.97 kDa
Ligands: 8HO
Released: 23 Oct 2019

Explore 6KKB in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6KKB contains 18 α-helices and 4 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 D: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	743-750	8

Chain X: 17 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	216-230	15
α-helix	236-238	3
α-helix	239-242	4
β-strand	244-245	2	1
α-helix	246-247	2
α-helix	252-254	3
α-helix	266-288	23
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	348-360	13
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

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Thyroid hormone receptor beta	X	protein	250	Homo sapiens	P10828 (AlphaFold model)
SRC2-3	D	protein	11	Homo sapiens	Q15596 (AlphaFold model)

Sequence of entity 1 (X), FASTA

>6KKB_1 Thyroid hormone receptor beta (chains X)
KPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGKVDLEAFS
HFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTL
NGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVE
RIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTEL
FPPLFLEVFE

Sequence of entity 2 (D), FASTA

>6KKB_2 SRC2-3 (chains D)
ENALLRYLLDK

Ligands and cofactors

ID	Name	Formula	Copies
8HO	2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid	C19 H16 N2 O5	1

Primary citation

Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Yao, B., Wei, Y., Zhang, S. et al. iScience (2019) 20:489-496. DOI 10.1016/j.isci.2019.10.002 · PubMed

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

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
3JZC 2.5 Å, Crystal Structure of TR-beta bound to the selective thyromimetic TRIAC

Browse structure collections

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