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Crystal structure of the ligand binding domains of the bovicola ovis ecdysone receptor ECR/USP heterodimer (pona crystal)
Analyse Crystal structure of the ligand binding domains of the bovicola ovis ecdysone… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4OZT
- Type
- protein
- Length
- 433 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ecdysone receptor; Retinoid X receptor
- UniProt
- E0VVT4, E0VFQ5
- Ligands
- P1A, NEQ
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Ecdysone receptor | protein | 238 | 67% helix, 3% strand | E0VVT4 |
| U | Retinoid X receptor | protein | 195 | 65% helix, 4% strand | E0VFQ5 |
Ligands and binding sites
- P1A · 2,3,14,20,22-pentahydroxycholest-7-en-6-one · ligand · chains E
- NEQ · N-ethylmaleimide · ligand · chains U
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 | 274 | 0.83 | 0.94 | 33 | P1A |
| 2 | 392 | 0.65 | 0.79 | 37 | empty |
| 3 | 260 | 0.57 | 0.78 | 22 | empty |
| 4 | 140 | 0.57 | 0.83 | 39 | empty |
| 5 | 58 | 0.44 | 0.83 | 18 | empty |
Interfaces
1 interface between chains.
- E–U · 1204 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4OZT · crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor… · the same entry in another collection · chain E against E, 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
- Every structure of UniProt E0VVT4
- Every structure of UniProt E0VFQ5
- Elsewhere: RCSB PDB 4OZT · PDBe 4OZT · UniProt E0VVT4 · UniProt E0VFQ5
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