Research workbench
Crystal structure of AHRR/ARNT complex
Analyse Crystal structure of AHRR/ARNT complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5Y7Y
- Type
- protein
- Length
- 464 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aryl hydrocarbon receptor repressor; Aryl hydrocarbon receptor nuclear translocator
- UniProt
- A9YTQ3, Q9BE97
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aryl hydrocarbon receptor repressor | protein | 201 | 42% helix, 22% strand | A9YTQ3 |
| B | Aryl hydrocarbon receptor nuclear translocator | protein | 263 | 34% helix, 25% strand | Q9BE97 |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 226 | 0.77 | 0.91 | 40 | empty |
| 2 | 421 | 0.67 | 0.80 | 64 | empty |
| 3 | 194 | 0.63 | 0.83 | 37 | GOL |
| 4 | 121 | 0.38 | 0.73 | 19 | empty |
| 5 | 63 | 0.38 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 3532 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 5Y7Y · Crystal structure of AhRR/ARNT complex · the same entry in another collection · chain A against A, TM-score 1.00
- A9YTQ3 · AlphaFold monomer V2.0 prediction for aryl hydrocarbon receptor repressor (A9YTQ3) · a predicted model of the same protein · chain A against A, TM-score 0.97
- Q9BE97 · AlphaFold monomer V2.0 prediction for aryl hydrocarbon receptor nuclear translocator… · a predicted model of the same protein · chain B against A, TM-score 0.55
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 A9YTQ3
- Every structure of UniProt Q9BE97
- Elsewhere: RCSB PDB 5Y7Y · PDBe 5Y7Y · UniProt A9YTQ3 · UniProt Q9BE97
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