MolNFT v1 · #19923 · protein
Crystal structure of human estrogenic 17BETA-hydroxysteroid dehydrogenase complex with androstanedione and NADP
1QYW · Estradiol 17 beta-dehydrogenase 1: “Crystal structure of human estrogenic 17BETA-hydroxysteroid dehydrogenase complex with androstanedione and…”. X-ray diffraction, 2 ligands (5SD, NAP), 2 pockets (best druggability 0.72). MolNFT v1…
- PDB
- 1QYW
- Type
- protein
- Length
- 276 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estradiol 17 beta-dehydrogenase 1
- EC
- 1.1.1.62
- UniProt
- P14061
- Ligands
- 5SD, NAP
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estradiol 17 beta-dehydrogenase 1 (EC 1.1.1.62) | protein | 276 | 55% helix, 15% strand | P14061 |
Ligands and binding sites
- 5SD · 5alpha-androstan-3,17-dione · ligand · chains A
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- GOL · Glycerol · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 620 | 0.72 | 0.79 | 58 | 5SD, NAP |
| 2 | 59 | 0.25 | 0.71 | 17 | empty |
Compared structures
- 1QYW · Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex 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
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 1QYW · PDBe 1QYW · UniProt P14061
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