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MolNFT v1 · #11681 · protein

Crystal structure of 17BETA-hydroxysteroid dehydrogenase type 1 complexed with testosterone

1JTV · 17 beta-hydroxysteroid dehydrogenase type 1: “Crystal structure of 17BETA-hydroxysteroid dehydrogenase type 1 complexed with testosterone”. X-ray diffraction, 1 ligand (TES), 1 pocket (best druggability 0.71). MolNFT v1 #11681 on…

PDB
1JTV
Type
protein
Length
278 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
17 beta-hydroxysteroid dehydrogenase type 1
EC
1.1.1.62
UniProt
P14061
Ligands
TES
Pockets
1 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A17 beta-hydroxysteroid dehydrogenase type 1 (EC 1.1.1.62)protein27855% helix, 15% strandP14061

Ligands and binding sites

  • TES · Testosterone · ligand · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16100.710.7955TES

Compared structures

  • 1JTV · Crystal structure of 17beta-Hydroxysteroid Dehydrogenase Type 1 complexed with… · 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 1.00

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