MolNFT v1 · #74670 · protein
Factor inhibiting hif-1 alpha in complex with notch 1 fragment mouse notch (1997-2016) peptide
3P3P · Hypoxia-inducible factor 1-alpha inhibitor: “Factor inhibiting hif-1 alpha in complex with notch 1 fragment mouse notch (1997-2016) peptide”. X-ray diffraction, 3 ligands (AKG, FE2, SO4), 4 pockets (best druggability 0.73). MolNFT…
- PDB
- 3P3P
- Type
- protein
- Length
- 354 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxia-inducible factor 1-alpha inhibitor; Notch 1 protein
- EC
- 1.14.11.16
- UniProt
- Q9NWT6, Q8K428
- Ligands
- AKG, FE2, SO4
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxia-inducible factor 1-alpha inhibitor (EC 1.14.11.16) | protein | 341 | 30% helix, 25% strand | Q9NWT6 |
| B | Notch 1 protein | protein | 13 | 0% helix, 0% strand | Q8K428 |
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
- GOL · Glycerol · additive · 3 copies · 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 | 72 | 0.73 | 0.97 | 22 | FE2, AKG |
| 2 | 131 | 0.46 | 0.78 | 24 | empty |
| 3 | 85 | 0.42 | 0.79 | 28 | GOL |
| 4 | 116 | 0.40 | 0.75 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 792 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3P3P · Factor inhibiting HIF-1 Alpha in complex with Notch 1 fragment mouse notch (1997-2016)… · 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
- Every structure of UniProt Q8K428
- Elsewhere: RCSB PDB 3P3P · PDBe 3P3P · UniProt Q9NWT6 · UniProt Q8K428
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