Research workbench
X-ray crystal structure of the ancestral 3-keto steroid receptor - progesterone complex
Analyse X-ray crystal structure of the ancestral 3-keto steroid receptor - progesterone… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FN9
- Type
- protein
- Length
- 499 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Steroid receptor 2
- Ligands
- STR, CPS, SO4
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Steroid receptor 2 | protein | 250 | 68% helix, 4% strand | — |
| B | Steroid receptor 2 | protein | 249 | 70% helix, 5% strand | — |
Ligands and binding sites
- STR · Progesterone · ligand · 2 copies · chains A, B
- CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 188 | 0.84 | 0.98 | 22 | STR |
| 2 | 170 | 0.83 | 0.98 | 23 | STR |
| 3 | 141 | 0.63 | 0.86 | 21 | empty |
| 4 | 140 | 0.62 | 0.85 | 22 | empty |
| 5 | 101 | 0.52 | 0.83 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 396 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4FN9 · X-ray Crystal structure of the Ancestral 3-keto steroid receptor - Progesterone 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 4FN9 · PDBe 4FN9
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