Research workbench
The X-ray structure of 7BETA-hydroxysteroid dehydrogenase
Analyse The X-ray structure of 7BETA-hydroxysteroid dehydrogenase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5GT9
- Type
- protein
- Length
- 525 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family protein
- UniProt
- A4ECA9
- Ligands
- NAP
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family protein | protein | 262 | 53% helix, 16% strand | A4ECA9 |
| B | Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family protein | protein | 263 | 51% helix, 16% strand | A4ECA9 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
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 | 1068 | 0.85 | 0.86 | 75 | NAP |
| 2 | 465 | 0.78 | 0.86 | 45 | NAP |
| 3 | 233 | 0.60 | 0.80 | 39 | empty |
Interfaces
1 interface between chains.
- A–B · 1745 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 5GT9 · The X-ray structure of 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 B 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 A4ECA9
- Elsewhere: RCSB PDB 5GT9 · PDBe 5GT9 · UniProt A4ECA9
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