Research workbench
Binary complex of rabbit 20ALPHA-hydroxysteroid dehydrogenase with NADPH
Analyse Binary complex of rabbit 20ALPHA-hydroxysteroid dehydrogenase with NADPH in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1Q5M
- Type
- protein
- Length
- 644 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostaglandin-E2 9-reductase
- EC
- 1.1.1.189, 1.1.1.149
- UniProt
- P80508
- Ligands
- NDP, SO4
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Prostaglandin-E2 9-reductase (EC 1.1.1.189, 1.1.1.149) | protein | 322 | 41% helix, 16% strand | P80508 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 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 | 844 | 0.79 | 0.82 | 82 | empty |
| 2 | 363 | 0.79 | 0.88 | 44 | NDP |
| 3 | 458 | 0.78 | 0.86 | 45 | NDP |
Interfaces
1 interface between chains.
- A–B · 618 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1Q5M · Binary complex of rabbit 20alpha-hydroxysteroid dehydrogenase with NADPH · the same entry in another collection · chain A against A, TM-score 1.00
- P80508 · AlphaFold monomer V2.0 prediction for prostaglandin-E(2) 9-reductase (P80508) · 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 P80508
- Elsewhere: RCSB PDB 1Q5M · PDBe 1Q5M · UniProt P80508
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