MolNFT v1 · #19454 · protein

Mutant estrogen nuclear receptor ligand binding domain complexed with estradiol

1QKT · Estradiol receptor: “Mutant estrogen nuclear receptor ligand binding domain complexed with estradiol”. X-ray diffraction, 1 ligand (EST), 3 pockets (best druggability 0.75). MolNFT v1 #19454 on GenesisL1: 3D structure, binding sites…

PDB: 1QKT
Type: protein
Length: 248 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Estradiol receptor
UniProt: P03372
Ligands: EST
Pockets: 3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Estradiol receptor	protein	248	67% helix, 4% strand	P03372

Ligands and binding sites

EST · Estradiol · 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	378	0.75	0.85	37	EST
2	91	0.64	0.90	19	empty
3	54	0.28	0.74	14	empty

Compared structures

1QKT · Mutant estrogen nuclear receptor ligand binding domain complexed with estradiol · the same entry in another collection · chain A against A, TM-score 1.00
P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain A against A, TM-score 0.89

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 1QKT · PDBe 1QKT · UniProt P03372

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