MolNFT v1 · #31554 · protein

A serm designed for the treatment of uterine leiomyoma with unique tissue specificity for uterus and ovaries in rats

2AYR · Estrogen receptor: “A serm designed for the treatment of uterine leiomyoma with unique tissue specificity for uterus and ovaries…”. X-ray diffraction, 1 ligand (L4G), 2 pockets (best druggability 0.77). MolNFT v1 #31554 on…

PDB: 2AYR
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: L4G
Pockets: 2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Estrogen receptor	protein	246	70% helix, 4% strand	P03372

Ligands and binding sites

L4G · 6-(4-methylsulfonyl-phenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol · ligand · 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	407	0.77	0.85	42	L4G
2	104	0.62	0.87	19	empty

Compared structures

2AYR · A SERM Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for… · 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 2AYR · PDBe 2AYR · UniProt P03372

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