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Estrogen receptor beta with selective triazine modulator

Analyse Estrogen receptor beta with selective triazine modulator in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1NDE
Type: protein
Length: 231 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Estrogen receptor beta
UniProt: Q92731
Ligands: MON
Pockets: 3 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Estrogen receptor beta	protein	231	66% helix, 3% strand	Q92731

Ligands and binding sites

MON · 4-(2-{[4-{[3-(4-chlorophenyl)propyl]sulfanyl}-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol · ligand · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	301	0.78	0.89	30	MON
2	137	0.63	0.86	23	empty
3	71	0.32	0.75	15	empty

Compared structures

1NDE · Estrogen Receptor beta with Selective Triazine Modulator · the same entry in another collection · chain A against A, TM-score 1.00
Q92731 · AlphaFold monomer V2.0 prediction for estrogen receptor beta (Q92731) · a predicted model of the same protein · chain A against A, TM-score 0.91

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 Q92731
Elsewhere: RCSB PDB 1NDE · PDBe 1NDE · UniProt Q92731

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