MolNFT v1 · #119510 · protein
Structural and biochemical insights into 7BETA- hydroxysteroid dehydrogenase stereoselectivity
5FYD · Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family…: “Structural and biochemical insights into 7BETA- hydroxysteroid dehydrogenase stereoselectivity”. X-ray diffraction, 3 pockets (best druggability 0.75). MolNFT v1 #119510…
- PDB
- 5FYD
- Type
- protein
- Length
- 511 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family protein
- EC
- 1.1.1.201
- UniProt
- A4ECA9
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family protein (EC 1.1.1.201) | protein | 259 | 54% helix, 17% strand | A4ECA9 |
| B | Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family protein (EC 1.1.1.201) | protein | 252 | 54% helix, 18% strand | A4ECA9 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 700 | 0.75 | 0.80 | 71 | empty |
| 2 | 473 | 0.71 | 0.81 | 44 | empty |
| 3 | 416 | 0.68 | 0.80 | 45 | empty |
Interfaces
1 interface between chains.
- A–B · 1085 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 5FYD · Structural and biochemical insights into 7beta-hydroxysteroid dehydrogenase… · the same entry in another collection · chain A against A, TM-score 1.00
- A4ECA9 · AlphaFold monomer V2.0 prediction for 7BETA-hydroxysteroid dehydrogenase (A4ECA9) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 A4ECA9
- Elsewhere: RCSB PDB 5FYD · PDBe 5FYD · UniProt A4ECA9
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