Research workbench
Crystal structure of the high affinity heterodimer of HIF2 alpha and arnt C-terminal pas domains with the artificial ligand THS020
Analyse Crystal structure of the high affinity heterodimer of HIF2 alpha and arnt… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3H82
- Type
- protein
- Length
- 228 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aryl hydrocarbon receptor nuclear translocator; Endothelial pas domain-containing protein…
- UniProt
- P27540, Q99814
- Ligands
- 020
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Aryl hydrocarbon receptor nuclear translocator | protein | 113 | 26% helix, 35% strand | P27540 |
| A | Endothelial pas domain-containing protein 1 | protein | 115 | 27% helix, 39% strand | Q99814 |
Ligands and binding sites
- 020 · N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.77 | 0.98 | 23 | 020 |
| 2 | 52 | 0.25 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- B–A · 1075 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3H82 · Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS… · the same entry in another collection · chain B against B, TM-score 1.00
- P27540 · AlphaFold monomer V2.0 prediction for aryl hydrocarbon receptor nuclear translocator… · a predicted model of the same protein · chain B against A, TM-score 0.95
- Q99814 · AlphaFold monomer V2.0 prediction for endothelial pas domain- containing protein 1… · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P27540
- Every structure of UniProt Q99814
- Elsewhere: RCSB PDB 3H82 · PDBe 3H82 · UniProt P27540 · UniProt Q99814
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