Research workbench
Crystal structure of the guinea pig 11BETA-hydroxysteroid dehydrogenase type 1 mutant F278E
Analyse Crystal structure of the guinea pig 11BETA-hydroxysteroid dehydrogenase type 1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DWF
- Type
- protein
- Length
- 1,095 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 11-beta-hydroxysteroid dehydrogenase 1
- EC
- 1.1.1.146
- UniProt
- Q6QLL4
- Ligands
- NAP, SO4
- Pockets
- 12 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 11-beta-hydroxysteroid dehydrogenase 1 (EC 1.1.1.146) | protein | 271 | 53% helix, 16% strand | Q6QLL4 |
| B, D | 11-beta-hydroxysteroid dehydrogenase 1 (EC 1.1.1.146) | protein | 275 | 52% helix, 16% strand | Q6QLL4 |
| C | 11-beta-hydroxysteroid dehydrogenase 1 (EC 1.1.1.146) | protein | 274 | 52% helix, 16% strand | Q6QLL4 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 5 copies · chains A, D, B, C
- GOL · Glycerol · additive · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 618 | 0.85 | 0.90 | 66 | NAP, GOL |
| 2 | 692 | 0.85 | 0.89 | 90 | NAP, SO4, GOL |
| 3 | 647 | 0.82 | 0.86 | 60 | NAP, SO4, GOL |
| 4 | 580 | 0.81 | 0.86 | 69 | NAP |
| 5 | 70 | 0.47 | 0.83 | 13 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3107 Ų buried · 31 hydrogen bonds · protein-protein
- C–D · 3047 Ų buried · 29 hydrogen bonds · protein-protein
- A–D · 775 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 250 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 197 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3DWF · Crystal Structure of the Guinea Pig 11beta-Hydroxysteroid Dehydrogenase Type 1 Mutant… · the same entry in another collection · chain D against D, TM-score 1.00
- Q6QLL4 · AlphaFold monomer V2.0 prediction for corticosteroid 11-beta- dehydrogenase isozyme 1… · 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 Q6QLL4
- Elsewhere: RCSB PDB 3DWF · PDBe 3DWF · UniProt Q6QLL4
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