MolNFT v1 · #48704 · protein
Ancestral corticoid receptor in complex with aldosterone
2Q1H · Anccr: “Ancestral corticoid receptor in complex with aldosterone”. X-ray diffraction, 2 ligands (AS4, NA), 4 pockets (best druggability 0.84). MolNFT v1 #48704 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2Q1H
- Type
- protein
- Length
- 244 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anccr
- Ligands
- AS4, NA
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 70% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anccr | protein | 244 | 70% helix, 5% strand | — |
Ligands and binding sites
- AS4 · Aldosterone · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 170 | 0.84 | 0.98 | 23 | AS4 |
| 2 | 154 | 0.67 | 0.87 | 22 | empty |
| 3 | 131 | 0.51 | 0.80 | 26 | empty |
| 4 | 57 | 0.29 | 0.74 | 14 | empty |
Compared structures
- 2Q1H · Ancestral Corticoid Receptor in Complex with Aldosterone · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 2Q1H · PDBe 2Q1H
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