Research workbench
Mineralocorticoid receptor double mutant with bound spironolactone
Analyse Mineralocorticoid receptor double mutant with bound spironolactone in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2AB2
- Type
- protein
- Length
- 518 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mineralocorticoid receptor
- UniProt
- P08235
- Ligands
- SNL, SO4
- Pockets
- 7 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mineralocorticoid receptor | protein | 259 | 68% helix, 5% strand | P08235 |
| B | Mineralocorticoid receptor | protein | 259 | 68% helix, 5% strand | P08235 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 186 | 0.84 | 0.98 | 23 | SNL |
| 2 | 187 | 0.83 | 0.97 | 25 | SNL |
| 3 | 129 | 0.66 | 0.88 | 20 | empty |
| 4 | 128 | 0.64 | 0.87 | 21 | empty |
| 5 | 67 | 0.47 | 0.83 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 733 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2AB2 · Mineralocorticoid Receptor Double Mutant with Bound Spironolactone · the same entry in another collection · chain A against A, TM-score 1.00
- P08235 · AlphaFold monomer V2.0 prediction for mineralocorticoid receptor (P08235) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P08235
- Elsewhere: RCSB PDB 2AB2 · PDBe 2AB2 · UniProt P08235
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