MolNFT v1 · #171695 · protein
17BETA-hydroxysteroid dehydrogenase type 14 variant S205 in complex with pentafluorophenol
6ZDE · 17-beta-hydroxysteroid dehydrogenase 14: “17BETA-hydroxysteroid dehydrogenase type 14 variant S205 in complex with pentafluorophenol”. X-ray diffraction, 3 ligands (QFZ, NAD, NA), 1 pocket (best druggability 0.77). MolNFT v1 #171695…
- PDB
- 6ZDE
- Type
- protein
- Length
- 252 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
- QFZ, NAD, NA
- Pockets
- 1 · best druggability 0.77
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 | 252 | 51% helix, 15% strand | Q9BPX1 |
Ligands and binding sites
- QFZ · 2,3,4,5,6-pentakis(fluoranyl)phenol · ligand · chains A
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 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 | 654 | 0.77 | 0.82 | 64 | QFZ, NAD |
Compared structures
- 6ZDE · 17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with pentafluorophenol · 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 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 Q9BPX1
- Elsewhere: RCSB PDB 6ZDE · PDBe 6ZDE · UniProt Q9BPX1
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