3OMP: Estrogen receptor beta

Fragment-Based Design of novel Estrogen Receptor Ligands. Determined by X-ray diffraction at 2.05 Å resolution. Released 16 Mar 2011.

Method: X-ray diffraction
Resolution: 2.05 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,130
Mol. weight: 59.18 kDa
Ligands: W14
Released: 16 Mar 2011

Explore 3OMP in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3OMP contains 27 α-helices and 6 β-strands across 4 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: 12 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	265-275	11
α-helix	276-281	6
α-helix	288-289	2
α-helix	291-313	23
α-helix	319-321	3
α-helix	324-347	24
β-strand	353-357	5	1
β-strand	360-363	4	1
α-helix	364-369	6
α-helix	373-390	18
α-helix	394-406	13
α-helix	422-442	21
α-helix	448-481	34
α-helix	489-496	8

Chain B: 13 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	265-275	11
α-helix	276-281	6
β-strand	283	1	2
α-helix	288-289	2
α-helix	291-314	24
α-helix	319-321	3
α-helix	324-347	24
β-strand	353-357	5	3
β-strand	359	1	2
β-strand	360-363	4	3
α-helix	364-369	6
α-helix	373-389	17
α-helix	394-406	13
α-helix	426-442	17
α-helix	448-460	13
α-helix	462-481	20
α-helix	489-494	6

Chains C and D: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	3-9	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Estrogen receptor beta	A, B	protein	240	Homo sapiens	Q92731 (AlphaFold model)
Nuclear receptor coactivator 1	C, D	protein	19		Q15788 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3OMP_1 Estrogen receptor beta (chains A, B)
DALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFV
ELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDML
LATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDADSSRKLAHLLNAVTDALVWV
IAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNAHVL

Sequence of entity 2 (C, D), FASTA

>3OMP_2 Nuclear receptor coactivator 1 (chains C, D)
LTERHKILHRLLQEGSPSD

Ligands and cofactors

ID	Name	Formula	Copies
W14	2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol	C11 H10 F3 N O2	2

Primary citation

Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach. van Otterlo, W.A., Rose, R., Fuchs, S. et al. J Med Chem (2011) 54:2005-2011. DOI 10.1021/jm1011116 · PubMed

Other PDB entries of the same protein (UniProt Q92731 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3OLL 1.5 Å, Crystal structure of phosphorylated estrogen receptor beta ligand binding domain
7XVY 1.54 Å, Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN
1QKM 1.8 Å, Human oestrogen receptor beta ligand-binding domain in complex with partial agonist…
7XWQ 1.89 Å, Human Estrogen Receptor beta Ligand-binding Domain in Complex with…
7XWP 1.92 Å, Human Estrogen Receptor beta Ligand-binding Domain in Complex with…
2YJD 1.93 Å, Stapled peptide bound to Estrogen Receptor Beta
3OMQ 1.97 Å, Fragment-Based Design of novel Estrogen Receptor Ligands
9ECF 2.0 Å, Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide…
1YYE 2.03 Å, Crystal structure of estrogen receptor beta complexed with way-202196
7XVZ 2.08 Å, Human Estrogen Receptor beta Ligand-binding Domain in Complex with…
2NV7 2.1 Å, Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555
4J24 2.1 Å, Estrogen Receptor in complex with proline-flanked LXXLL peptides

Browse structure collections

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