MolNFT v1 · #147747 · protein
17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with salicylic acid
6EMM · 17-beta-hydroxysteroid dehydrogenase 14: “17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with salicylic acid”. X-ray diffraction, 2 ligands (NAD, SAL), 1 pocket (best druggability 0.76). MolNFT v1 #147747 on…
- PDB
- 6EMM
- Type
- protein
- Length
- 268 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, SAL
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 17-beta-hydroxysteroid dehydrogenase 14 (EC 1.1.1.-) | protein | 268 | 49% helix, 15% strand | Q9BPX1 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- SAL · 2-hydroxybenzoic acid · ligand · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- PG4 · Tetraethylene glycol · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 692 | 0.76 | 0.81 | 61 | NAD, SAL |
Compared structures
- 6EMM · 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with Salicylic acid · 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 0.97
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 6EMM · PDBe 6EMM · UniProt Q9BPX1
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