MolNFT v1 · #128891 · protein
17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor.
5O43 · 17-beta-hydroxysteroid dehydrogenase 14: “17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone…”. X-ray diffraction, 4 ligands (NAD, 9JQ, BGC), 1 pocket (best druggability 0.76).…
- PDB
- 5O43
- Type
- protein
- Length
- 253 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 17-beta-hydroxysteroid dehydrogenase 14
- EC
- 1.1.1.-
- UniProt
- Q9BPX1
- Ligands
- NAD, 9JQ, BGC, NA
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 17-beta-hydroxysteroid dehydrogenase 14 (EC 1.1.1.-) | protein | 253 | 51% helix, 15% strand | Q9BPX1 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- 9JQ · 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol · ligand · chains A
- BGC · beta-D-glucopyranose · sugar · chains A
- NA · Sodium ion · metal · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 566 | 0.76 | 0.83 | 59 | NAD, 9JQ |
Compared structures
- 5O43 · 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9BPX1 · AlphaFold monomer V2.0 prediction for 17-beta-hydroxysteroid dehydrogenase 14 (Q9BPX1) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9BPX1
- Elsewhere: RCSB PDB 5O43 · PDBe 5O43 · UniProt Q9BPX1
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