MolNFT v1 · #145233 · protein

Estrogen receptor alpha Y537S bound to antagonist H3B-9224.

6CHZ: “Estrogen receptor alpha Y537S bound to antagonist H3B-9224.”. X-ray diffraction, 1 ligand (F3D), 2 pockets (best druggability 0.75). MolNFT v1 #145233 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6CHZ
Type: protein
Length: 246 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Estrogen receptor
UniProt: P03372
Ligands: F3D
Pockets: 2 · best druggability 0.75

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Estrogen receptor	protein	246	67% helix, 4% strand	P03372

Ligands and binding sites

F3D · 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide · ligand · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

2 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	485	0.75	0.83	54	F3D
2	86	0.62	0.89	20	EDO

Compared structures

6CHZ · Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. · 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 6CHZ · PDBe 6CHZ · UniProt P03372

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