MolNFT v1 · #103381 · protein
Mineralocorticoid receptor ligand-binding domain with compuond 37A
4PF3: “Mineralocorticoid receptor ligand-binding domain with compuond 37A”. X-ray diffraction, 1 ligand (HFN), 4 pockets (best druggability 0.83). MolNFT v1 #103381 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4PF3
- Type
- protein
- Length
- 249 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mineralocorticoid receptor
- UniProt
- P08235
- Ligands
- HFN
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mineralocorticoid receptor | protein | 249 | 69% helix, 4% strand | P08235 |
Ligands and binding sites
- HFN · 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one · ligand · chains A
- EDO · 1,2-ethanediol · additive · 8 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 | 174 | 0.83 | 0.97 | 25 | HFN |
| 2 | 100 | 0.65 | 0.90 | 21 | empty |
| 3 | 107 | 0.52 | 0.82 | 24 | EDO |
| 4 | 64 | 0.36 | 0.77 | 14 | EDO |
Compared structures
- 4PF3 · Mineralocorticoid receptor ligand-binding domain with compuond 37a · 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 A 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 4PF3 · PDBe 4PF3 · UniProt P08235
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