MolNFT v1 · #66454 · protein
PHD2:FE:UN9:PARTIAL HIF1-alpha substrate complex
3HQU · Egl nine homolog 1: “PHD2:FE:UN9:PARTIAL HIF1-alpha substrate complex”. X-ray diffraction, 2 ligands (UN9, FE2), 1 pocket (best druggability 0.64). MolNFT v1 #66454 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3HQU
- Type
- protein
- Length
- 222 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Egl nine homolog 1; Hypoxia-inducible factor 1 alpha
- EC
- 1.14.11.-
- UniProt
- Q9GZT9, Q16665
- Ligands
- UN9, FE2
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Egl nine homolog 1 (EC 1.14.11.-) | protein | 215 | 28% helix, 32% strand | Q9GZT9 |
| S | Hypoxia-inducible factor 1 alpha | protein | 7 | 0% helix, 14% strand | Q16665 |
Ligands and binding sites
- UN9 · N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine · ligand · chains A
- FE2 · Fe (II) ion · metal · 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 | 139 | 0.64 | 0.86 | 25 | FE2, UN9 |
Interfaces
1 interface between chains.
- A–S · 576 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3HQU · PHD2:Fe:UN9:partial HIF1-alpha substrate complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q9GZT9 · AlphaFold monomer V2.0 prediction for egl nine homolog 1 (Q9GZT9) · a predicted model of the same protein · chain A against A, TM-score 0.93
- Q16665 · AlphaFold monomer V2.0 prediction for hypoxia-inducible factor 1-alpha (Q16665) · a predicted model of the same protein · chain S against A, TM-score 0.65
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 Q9GZT9
- Every structure of UniProt Q16665
- Elsewhere: RCSB PDB 3HQU · PDBe 3HQU · UniProt Q9GZT9 · UniProt Q16665
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