MolNFT v1 · #188153 · protein

Estrogen receptor alpha ligand binding domain in complex with RAD1901

7TE7: “Estrogen receptor alpha ligand binding domain in complex with RAD1901”. X-ray diffraction, 1 ligand (I0V), 3 pockets (best druggability 0.83). MolNFT v1 #188153 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7TE7
Type: protein
Length: 234 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Estrogen receptor
UniProt: P03372
Ligands: I0V
Pockets: 3 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Estrogen receptor	protein	234	69% helix, 4% strand	P03372

Ligands and binding sites

I0V · (6R)-6-{2-[ethyl({4-[2-(ethylamino) ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol · 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	255	0.83	0.94	32	I0V
2	91	0.65	0.90	20	empty
3	51	0.26	0.74	14	empty

Compared structures

7TE7 · Estrogen Receptor Alpha Ligand Binding Domain in Complex with RAD1901 · 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 0.91

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 P03372
Elsewhere: RCSB PDB 7TE7 · PDBe 7TE7 · UniProt P03372

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