MolNFT v1 · #65810 · protein
Crystal structure of the high affinity heterodimer of HIF2 alpha and arnt C-terminal pas domains with the artificial ligand THS017
3H7W · Endothelial pas domain-containing protein 1: “Crystal structure of the high affinity heterodimer of HIF2 alpha and arnt C-terminal pas domains with the…”. X-ray diffraction, 1 ligand (018), 1 pocket (best druggability 0.76). MolNFT…
- PDB
- 3H7W
- Type
- protein
- Length
- 218 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endothelial pas domain-containing protein 1; Aryl hydrocarbon receptor nuclear…
- UniProt
- Q99814, P27540
- Ligands
- 018
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endothelial pas domain-containing protein 1 | protein | 108 | 31% helix, 37% strand | Q99814 |
| B | Aryl hydrocarbon receptor nuclear translocator | protein | 110 | 21% helix, 36% strand | P27540 |
Ligands and binding sites
- 018 · 2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 89 | 0.76 | 0.97 | 23 | 018 |
Interfaces
1 interface between chains.
- A–B · 962 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3H7W · Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS… · the same entry in another collection · chain A against A, TM-score 1.00
- 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 0.96
- 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
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 Q99814
- Every structure of UniProt P27540
- Elsewhere: RCSB PDB 3H7W · PDBe 3H7W · UniProt Q99814 · UniProt P27540
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.