MolNFT v1 · #177610 · protein
Crystal structure of hydroxysteroid dehydrogenase from escherichia COLI
7ENY · 7ALPHA-hydroxysteroid dehydrogenase: “Crystal structure of hydroxysteroid dehydrogenase from escherichia COLI”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #177610 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7ENY
- Type
- protein
- Length
- 1,964 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 7ALPHA-hydroxysteroid dehydrogenase
- EC
- 1.1.1.159
- UniProt
- P0AET8
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 7 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | 7ALPHA-hydroxysteroid dehydrogenase (EC 1.1.1.159) | protein | 251 | 47% helix, 16% strand | P0AET8 |
| B | 7ALPHA-hydroxysteroid dehydrogenase (EC 1.1.1.159) | protein | 244 | 48% helix, 16% strand | P0AET8 |
| C | 7ALPHA-hydroxysteroid dehydrogenase (EC 1.1.1.159) | protein | 239 | 50% helix, 15% strand | P0AET8 |
| D | 7ALPHA-hydroxysteroid dehydrogenase (EC 1.1.1.159) | protein | 252 | 46% helix, 14% strand | P0AET8 |
| F | 7ALPHA-hydroxysteroid dehydrogenase (EC 1.1.1.159) | protein | 235 | 48% helix, 17% strand | P0AET8 |
| G | 7ALPHA-hydroxysteroid dehydrogenase (EC 1.1.1.159) | protein | 240 | 43% helix, 16% strand | P0AET8 |
| H | 7ALPHA-hydroxysteroid dehydrogenase (EC 1.1.1.159) | protein | 252 | 42% helix, 15% strand | P0AET8 |
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 954 | 0.79 | 0.81 | 93 | empty |
| 2 | 713 | 0.78 | 0.83 | 95 | empty |
| 3 | 576 | 0.74 | 0.82 | 75 | empty |
| 4 | 561 | 0.65 | 0.76 | 56 | empty |
| 5 | 264 | 0.63 | 0.81 | 26 | empty |
Interfaces
16 interfaces between chains.
- G–H · 1809 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 1783 Ų buried · 23 hydrogen bonds · protein-protein
- F–H · 1735 Ų buried · 20 hydrogen bonds · protein-protein
- E–G · 1686 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1660 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 7ENY · Crystal structure of hydroxysteroid dehydrogenase from Escherichia coli · the same entry in another collection · chain G against G, TM-score 1.00
- P0AET8 · AlphaFold monomer V2.0 prediction for 7ALPHA-hydroxysteroid dehydrogenase (P0AET8) · a predicted model of the same protein · chain D 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 P0AET8
- Elsewhere: RCSB PDB 7ENY · PDBe 7ENY · UniProt P0AET8
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