MolNFT v1 · #123827 · protein
Factor inhibiting hif D201E in complex with fe, and alpha- ketoglutarate
5JWK · Hypoxia-inducible factor 1-alpha inhibitor: “Factor inhibiting hif D201E in complex with fe, and alpha- ketoglutarate”. X-ray diffraction, 3 ligands (AKG, FE2, SO4), 4 pockets (best druggability 0.66). MolNFT v1 #123827 on…
- PDB
- 5JWK
- Type
- protein
- Length
- 341 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxia-inducible factor 1-alpha inhibitor
- EC
- 1.14.11.30, 1.14.11.-
- UniProt
- Q9NWT6
- Ligands
- AKG, FE2, SO4
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxia-inducible factor 1-alpha inhibitor (EC 1.14.11.30, 1.14.11.-) | protein | 341 | 30% helix, 24% strand | Q9NWT6 |
Ligands and binding sites
- AKG · 2-oxoglutaric acid · ligand · chains A
- FE2 · Fe (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 302 | 0.66 | 0.81 | 40 | AKG, PEG, FE2 |
| 2 | 80 | 0.49 | 0.83 | 22 | empty |
| 3 | 158 | 0.44 | 0.75 | 24 | empty |
| 4 | 56 | 0.31 | 0.76 | 13 | empty |
Compared structures
- 5JWK · Factor Inhibiting HIF D201E in Complex with Fe, and Alpha-Ketoglutarate · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NWT6 · AlphaFold monomer V2.0 prediction for hypoxia-inducible factor 1-alpha inhibitor (Q9NWT6) · a predicted model of the same protein · chain A 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 Q9NWT6
- Elsewhere: RCSB PDB 5JWK · PDBe 5JWK · UniProt Q9NWT6
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