MolNFT v1 · #108950 · protein
Crystal structure of the C-terminal per-arnt-sim (pasb) of human hif- 3ALPHA9 bound to 18:1-1-monoacylglycerol
4WN5 · Hypoxia-inducible factor 3-alpha: “Crystal structure of the C-terminal per-arnt-sim (pasb) of human hif- 3ALPHA9 bound to 18:1-1-monoacylglycerol”. X-ray diffraction, 2 ligands (MVC, SO4), 4 pockets (best druggability 0.76). MolNFT…
- PDB
- 4WN5
- Type
- protein
- Length
- 213 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxia-inducible factor 3-alpha
- UniProt
- Q9Y2N7
- Ligands
- MVC, SO4
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxia-inducible factor 3-alpha | protein | 108 | 28% helix, 38% strand | Q9Y2N7 |
| B | Hypoxia-inducible factor 3-alpha | protein | 105 | 31% helix, 37% strand | Q9Y2N7 |
Ligands and binding sites
- MVC · Monovaccenin · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A
- P6G · Hexaethylene glycol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 168 | 0.76 | 0.92 | 36 | MVC |
| 2 | 155 | 0.76 | 0.92 | 36 | MVC |
| 3 | 190 | 0.55 | 0.79 | 32 | empty |
| 4 | 125 | 0.41 | 0.75 | 25 | P6G |
Interfaces
1 interface between chains.
- A–B · 419 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- Q9Y2N7 · AlphaFold monomer V2.0 prediction for hypoxia-inducible factor 3-alpha (Q9Y2N7) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 Q9Y2N7
- Elsewhere: RCSB PDB 4WN5 · PDBe 4WN5 · UniProt Q9Y2N7
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