MolNFT v1 · #147137 · protein
Crystal structure of the heterodimeric hif-2 complex with antagonist T1001
6E3T · Aryl hydrocarbon receptor nuclear translocator: “Crystal structure of the heterodimeric hif-2 complex with antagonist T1001”. X-ray diffraction, 1 ligand (HO7), 5 pockets (best druggability 0.79). MolNFT v1 #147137 on GenesisL1: 3D…
- PDB
- 6E3T
- Type
- protein
- Length
- 526 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
- P53762, P97481
- Ligands
- HO7
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aryl hydrocarbon receptor nuclear translocator | protein | 245 | 34% helix, 34% strand | P53762 |
| B | Endothelial pas domain-containing protein 1 | protein | 281 | 33% helix, 32% strand | P97481 |
Ligands and binding sites
- HO7 · (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.79 | 0.99 | 25 | HO7 |
| 2 | 57 | 0.66 | 0.95 | 17 | empty |
| 3 | 406 | 0.64 | 0.78 | 31 | empty |
| 4 | 329 | 0.59 | 0.76 | 35 | empty |
| 5 | 226 | 0.50 | 0.76 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 3601 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 6E3T · Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist T1001 · the same entry in another collection · chain A against A, TM-score 1.00
- P97481 · AlphaFold monomer V2.0 prediction for endothelial pas domain- containing protein 1… · a predicted model of the same protein · chain B against A, TM-score 0.96
- P53762 · AlphaFold monomer V2.0 prediction for aryl hydrocarbon receptor nuclear translocator… · a predicted model of the same protein · chain A against A, TM-score 0.85
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 P53762
- Every structure of UniProt P97481
- Elsewhere: RCSB PDB 6E3T · PDBe 6E3T · UniProt P53762 · UniProt P97481
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.