Research workbench

Estrogen Receptor

Analyse Estrogen Receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3OS8
Type: protein
Length: 946 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.031
Source: Homo sapiens
Molecule: Estrogen receptor
UniProt: P03372
Ligands: KN0
Pockets: 14 · best druggability 0.84

Structure

x-ray diffraction · resolution 2.031 · 3 distinct chains · 72% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Estrogen receptor	protein	241	70% helix, 4% strand	P03372
C	Estrogen receptor	protein	234	74% helix, 4% strand	P03372
D	Estrogen receptor	protein	230	72% helix, 4% strand	P03372

Ligands and binding sites

KN0 · 4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol · ligand · 4 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	226	0.84	0.96	26	KN0
2	225	0.84	0.96	24	KN0
3	216	0.83	0.96	29	KN0
4	216	0.82	0.94	30	KN0
5	600	0.75	0.82	85	empty

Interfaces

5 interfaces between chains.

A–C · 1603 Å² buried · 23 hydrogen bonds · protein-protein
B–D · 1584 Å² buried · 23 hydrogen bonds · protein-protein
A–B · 319 Å² buried · 4 hydrogen bonds · protein-protein
A–D · 145 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 122 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (artifact).

Compared structures

3OS8 · Estrogen receptor · the same entry in another collection · chain D against D, TM-score 1.00
P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain D against A, TM-score 0.92

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P03372
Elsewhere: RCSB PDB 3OS8 · PDBe 3OS8 · UniProt P03372

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