MolNFT v1 · #46651 · protein
Crystal structure of the S810L mutant mineralocorticoid receptor associated with SC9420
2OAX: “Crystal structure of the S810L mutant mineralocorticoid receptor associated with SC9420”. X-ray diffraction, 1 ligand (SNL), 20 pockets (best druggability 0.85). MolNFT v1 #46651 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2OAX
- Type
- protein
- Length
- 1,405 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mineralocorticoid receptor
- UniProt
- P08235
- Ligands
- SNL
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 6 distinct chains · 67% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mineralocorticoid receptor | protein | 233 | 67% helix, 6% strand | P08235 |
| B | Mineralocorticoid receptor | protein | 233 | 66% helix, 6% strand | P08235 |
| C | Mineralocorticoid receptor | protein | 233 | 70% helix, 4% strand | P08235 |
| D | Mineralocorticoid receptor | protein | 234 | 66% helix, 6% strand | P08235 |
| E | Mineralocorticoid receptor | protein | 234 | 65% helix, 6% strand | P08235 |
| F | Mineralocorticoid receptor | protein | 238 | 66% helix, 5% strand | P08235 |
Ligands and binding sites
- SNL · Spironolactone · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.85 | 0.97 | 25 | SNL |
| 2 | 232 | 0.85 | 0.97 | 26 | SNL |
| 3 | 252 | 0.85 | 0.96 | 25 | SNL |
| 4 | 217 | 0.85 | 0.97 | 25 | SNL |
| 5 | 220 | 0.84 | 0.96 | 25 | SNL |
Interfaces
3 interfaces between chains.
- E–F · 337 Ų buried · 1 hydrogen bond · protein-protein
- A–E · 185 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 127 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2OAX · Crystal structure of the S810L mutant mineralocorticoid receptor associated with SC9420 · the same entry in another collection · chain F against F, TM-score 1.00
- P08235 · AlphaFold monomer V2.0 prediction for mineralocorticoid receptor (P08235) · 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 P08235
- Elsewhere: RCSB PDB 2OAX · PDBe 2OAX · UniProt P08235
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