MolNFT v1 · #61296 · protein

Estrogenic 17-beta hydroxysteroid dehydrogenase complexed dehydroepiandrosterone

3DHE: “Estrogenic 17-beta hydroxysteroid dehydrogenase complexed dehydroepiandrosterone”. X-ray diffraction, 1 ligand (AND), 2 pockets (best druggability 0.79). MolNFT v1 #61296 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3DHE
Type: protein
Length: 284 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Estrogenic 17-beta hydroxysteroid dehydrogenase
EC: 1.1.1.62
UniProt: P14061
Ligands: AND
Pockets: 2 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Estrogenic 17-beta hydroxysteroid dehydrogenase (EC 1.1.1.62)	protein	284	54% helix, 14% strand	P14061

Ligands and binding sites

AND · 3-beta-hydroxy-5-androsten-17-one · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	785	0.79	0.82	60	AND
2	62	0.26	0.71	16	empty

Compared structures

3DHE · Estrogenic 17-beta hydroxysteroid dehydrogenase complexed dehydroepiandrosterone · the same entry in another collection · chain A against A, TM-score 1.00
P14061 · AlphaFold monomer V2.0 prediction for 17-beta-hydroxysteroid dehydrogenase type 1 (P14061) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P14061
Elsewhere: RCSB PDB 3DHE · PDBe 3DHE · UniProt P14061

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