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Crystal structure of the 17beta-hydroxysteroid dehydrogenase from Cochliobolus lunatus
Analyse Crystal structure of the 17beta-hydroxysteroid dehydrogenase from Cochliobolus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QWF
- Type
- protein
- Length
- 2,088 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.88
- Source
- Cochliobolus lunatus
- Molecule
- 17beta-hydroxysteroid dehydrogenase
- EC
- 1.1.1.62
- UniProt
- O93874
- Ligands
- NAP
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · resolution 1.88 · 1 distinct chain · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | 17beta-hydroxysteroid dehydrogenase (EC 1.1.1.62) | protein | 261 | 47% helix, 14% strand | O93874 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 8 copies · chains A, B, C, D, E, F, G, H
- GOL · Glycerol · additive · 10 copies · chains A, B, D, C, E, F, H, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 983 | 0.84 | 0.85 | 77 | empty |
| 2 | 1040 | 0.84 | 0.85 | 77 | empty |
| 3 | 357 | 0.79 | 0.89 | 57 | NAP |
| 4 | 391 | 0.79 | 0.88 | 56 | NAP |
| 5 | 380 | 0.79 | 0.88 | 59 | NAP |
Interfaces
13 interfaces between chains.
- C–D · 1853 Ų buried · 32 hydrogen bonds · protein-protein
- G–H · 1852 Ų buried · 33 hydrogen bonds · protein-protein
- E–F · 1847 Ų buried · 33 hydrogen bonds · protein-protein
- A–B · 1840 Ų buried · 33 hydrogen bonds · protein-protein
- B–D · 1703 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 3QWF · Crystal structure of the 17BETA-hydroxysteroid dehydrogenase from cochliobolus lunatus · the same entry in another collection · 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 O93874
- Elsewhere: RCSB PDB 3QWF · PDBe 3QWF · UniProt O93874
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