2GIU: Estrogen receptor beta

Human estrogen receptor beta ligand-binding domain in complex with compound 45. Determined by X-ray diffraction at 2.2 Å resolution. Released 10 Oct 2006.

Method: X-ray diffraction
Resolution: 2.2 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,840
Mol. weight: 27.56 kDa
Ligands: FBR
Released: 10 Oct 2006

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

Secondary structure: helices and β-sheets

2GIU contains 12 α-helices and 2 β-strands across 1 chain. 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	261-263	3
α-helix	265-274	10
α-helix	276-281	6
α-helix	294-314	21
α-helix	324-347	24
β-strand	353-357	5	1
β-strand	360-363	4	1
α-helix	364-366	3
α-helix	373-390	18
α-helix	394-407	14
α-helix	411-413	3
α-helix	421-442	22
α-helix	448-477	30
α-helix	487-497	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Estrogen receptor beta	A	protein	241	Homo sapiens	Q92731 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>2GIU_1 Estrogen receptor beta (chains A)
LDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGF
VELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDM
LLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDADSSRKLAHLLNAVTDALVW
VIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNAHV
L

Ligands and cofactors

ID	Name	Formula	Copies
FBR	(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one	C17 H19 Br O2	1

Primary citation

The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands. Wilkening, R.R., Ratcliffe, R.W., Tynebor, E.C. et al. Bioorg Med Chem Lett (2006) 16:3489-3494. DOI 10.1016/j.bmcl.2006.03.098 · 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
3OMP 2.05 Å, Fragment-Based Design of novel Estrogen Receptor Ligands
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

Browse structure collections

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