MolNFT v1 · #21974 · protein
Progesterone receptor hormone binding domain with bound mometasone furoate
1SR7: “Progesterone receptor hormone binding domain with bound mometasone furoate”. X-ray diffraction, 2 ligands (MOF, SO4), 10 pockets (best druggability 0.87). MolNFT v1 #21974 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1SR7
- Type
- protein
- Length
- 498 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Progesterone receptor
- UniProt
- P06401
- Ligands
- MOF, SO4
- Pockets
- 10 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Progesterone receptor | protein | 249 | 69% helix, 5% strand | P06401 |
| B | Progesterone receptor | protein | 249 | 69% helix, 4% strand | P06401 |
Ligands and binding sites
- MOF · Mometasone furoate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 280 | 0.87 | 0.97 | 26 | MOF |
| 2 | 287 | 0.86 | 0.96 | 26 | MOF |
| 3 | 183 | 0.68 | 0.86 | 25 | empty |
| 4 | 169 | 0.66 | 0.86 | 24 | empty |
| 5 | 97 | 0.58 | 0.86 | 24 | GOL |
Interfaces
1 interface between chains.
- A–B · 583 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1SR7 · Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate · the same entry in another collection · chain A against A, TM-score 1.00
- P06401 · AlphaFold monomer V2.0 prediction for progesterone receptor (P06401) · a predicted model of the same protein · chain B 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 P06401
- Elsewhere: RCSB PDB 1SR7 · PDBe 1SR7 · UniProt P06401
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