MolNFT v1 · #99114 · protein
Ancestral ketosteroid receptor-progesterone-mifepristone complex
4LTW · Ancestral steroid receptor 2: “Ancestral ketosteroid receptor-progesterone-mifepristone complex”. X-ray diffraction, 3 ligands (486, STR, SO4), 4 pockets (best druggability 0.84). MolNFT v1 #99114 on GenesisL1: 3D structure, binding…
- PDB
- 4LTW
- Type
- protein
- Length
- 251 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ancestral steroid receptor 2
- Ligands
- 486, STR, SO4
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ancestral steroid receptor 2 | protein | 251 | 69% helix, 5% strand | — |
Ligands and binding sites
- 486 · 11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one · ligand · 2 copies · chains A
- STR · Progesterone · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 188 | 0.84 | 0.97 | 24 | STR |
| 2 | 145 | 0.67 | 0.88 | 24 | GOL |
| 3 | 109 | 0.47 | 0.80 | 21 | empty |
| 4 | 86 | 0.37 | 0.76 | 15 | 486 |
Compared structures
- 4LTW · Ancestral Ketosteroid Receptor-Progesterone-Mifepristone Complex · 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 4LTW · PDBe 4LTW
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