Research workbench
Hemipteran ecdysone receptor ligand-binding domain complexed with ponasterone a
Analyse Hemipteran ecdysone receptor ligand-binding domain complexed with ponasterone a in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1Z5X
- Type
- protein
- Length
- 430 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ultraspiracle protein (usp) a homologue of rxr; Ecdysone receptor ligand binding domain
- Ligands
- P1A, PO4
- Pockets
- 7 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| U | Ultraspiracle protein (usp) a homologue of rxr | protein | 193 | 66% helix, 2% strand | — |
| E | Ecdysone receptor ligand binding domain | protein | 237 | 69% helix, 3% strand | — |
Ligands and binding sites
- P1A · 2,3,14,20,22-pentahydroxycholest-7-en-6-one · ligand · chains E
- PO4 · Phosphate ion · ion · 4 copies · chains U, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 308 | 0.86 | 0.95 | 48 | P1A |
| 2 | 145 | 0.70 | 0.90 | 30 | PO4 |
| 3 | 415 | 0.68 | 0.80 | 52 | empty |
| 4 | 235 | 0.52 | 0.76 | 23 | empty |
| 5 | 75 | 0.49 | 0.84 | 19 | empty |
Interfaces
1 interface between chains.
- U–E · 1016 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1Z5X · hemipteran ecdysone receptor ligand-binding domain complexed with ponasterone A · the same entry in another collection · chain U against U, 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 1Z5X · PDBe 1Z5X
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