MolNFT v1 · #86467 · protein
Factor inhibiting hif-1 alpha in complex with consensus ankyrin repeat domain-ser peptide (20-mer)
4B7K · Hypoxia-inducible factor 1-alpha inhibitor: “Factor inhibiting hif-1 alpha in complex with consensus ankyrin repeat domain-ser peptide (20-mer)”. X-ray diffraction, 3 ligands (OGA, ZN, SO4), 4 pockets (best druggability 0.73).…
- PDB
- 4B7K
- Type
- protein
- Length
- 353 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxia-inducible factor 1-alpha inhibitor; Consensus ankyrin repeat domain-ser
- EC
- 1.14.11.16, 1.14.11.30
- UniProt
- Q9NWT6
- Ligands
- OGA, ZN, 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, 1.14.11.30) | protein | 338 | 29% helix, 25% strand | Q9NWT6 |
| B | Consensus ankyrin repeat domain-ser | protein | 15 | 33% helix, 0% strand | — |
Ligands and binding sites
- OGA · N-oxalylglycine · ligand · chains A, B
- ZN · Zinc ion · metal · chains A, B
- SO4 · Sulfate ion · ion · 4 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 | 104 | 0.73 | 0.94 | 30 | ZN, OGA |
| 2 | 143 | 0.49 | 0.79 | 26 | empty |
| 3 | 133 | 0.42 | 0.75 | 24 | empty |
| 4 | 64 | 0.42 | 0.81 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 970 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4B7K · Factor inhibiting hif-1 alpha in complex with consensus ankyrin repeat domain-ser peptide… · 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 0.96
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 4B7K · PDBe 4B7K · UniProt Q9NWT6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.