MolNFT v1 · #19448 · protein

Rat oestrogen receptor beta ligand-binding domain in complex with antagonist raloxifene

1QKN: “Rat oestrogen receptor beta ligand-binding domain in complex with antagonist raloxifene”. X-ray diffraction, 1 ligand (RAL), 3 pockets (best druggability 0.74). MolNFT v1 #19448 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 1QKN
Type: protein
Length: 228 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Estrogen receptor beta
UniProt: Q62986
Ligands: RAL
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Estrogen receptor beta	protein	228	70% helix, 5% strand	Q62986

Ligands and binding sites

RAL · Raloxifene · ligand · chains A
ACT · Acetate ion · additive · 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	184	0.74	0.90	24	RAL
2	121	0.64	0.87	21	empty
3	77	0.44	0.80	14	empty

Compared structures

1QKN · Rat oestrogen receptor beta ligand-binding domain in complex with antagonist raloxifene · the same entry in another collection · chain A against A, TM-score 1.00
Q62986 · AlphaFold monomer V2.0 prediction for estrogen receptor beta (Q62986) · a predicted model of the same protein · chain A 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 Q62986
Elsewhere: RCSB PDB 1QKN · PDBe 1QKN · UniProt Q62986

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.