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Crystal structure of 17BETA-hydroxysteroid dehydrogenase type 14 apoenzyme.
Analyse Crystal structure of 17BETA-hydroxysteroid dehydrogenase type 14 apoenzyme. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5ICS
- Type
- protein
- Length
- 1,033 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 17-beta-hydroxysteroid dehydrogenase 14
- EC
- 1.1.1.-
- UniProt
- Q9BPX1
- Pockets
- 9 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 17-beta-hydroxysteroid dehydrogenase 14 (EC 1.1.1.-) | protein | 259 | 49% helix, 15% strand | Q9BPX1 |
| C | 17-beta-hydroxysteroid dehydrogenase 14 (EC 1.1.1.-) | protein | 259 | 48% helix, 15% strand | Q9BPX1 |
| D | 17-beta-hydroxysteroid dehydrogenase 14 (EC 1.1.1.-) | protein | 258 | 50% helix, 15% strand | Q9BPX1 |
| F | 17-beta-hydroxysteroid dehydrogenase 14 (EC 1.1.1.-) | protein | 257 | 50% helix, 16% strand | Q9BPX1 |
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1114 | 0.85 | 0.85 | 63 | empty |
| 2 | 784 | 0.78 | 0.81 | 69 | empty |
| 3 | 769 | 0.77 | 0.81 | 71 | empty |
| 4 | 471 | 0.72 | 0.82 | 59 | empty |
| 5 | 632 | 0.71 | 0.79 | 77 | empty |
Interfaces
6 interfaces between chains.
- C–F · 1509 Ų buried · 20 hydrogen bonds · protein-protein
- A–D · 1486 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1452 Ų buried · 16 hydrogen bonds · protein-protein
- D–F · 1366 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 1335 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 5ICS · Crystal structure of 17beta-hydroxysteroid dehydrogenase type 14 apoenzyme. · the same entry in another collection · chain F against F, TM-score 1.00
- Q9BPX1 · AlphaFold monomer V2.0 prediction for 17-beta-hydroxysteroid dehydrogenase 14 (Q9BPX1) · a predicted model of the same protein · chain D against A, TM-score 0.99
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 Q9BPX1
- Elsewhere: RCSB PDB 5ICS · PDBe 5ICS · UniProt Q9BPX1
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