Research workbench
Factor inhibiting hif-1 alpha in complex with 8-hydroxyquinoline-5- carboxylic acid
Analyse Factor inhibiting hif-1 alpha in complex with 8-hydroxyquinoline-5- carboxylic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4BIO
- Type
- protein
- Length
- 339 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.45
- Source
- HOMO SAPIENS
- Molecule
- Hypoxia-inducible factor 1-alpha inhibitor
- EC
- 1.14.11.30, 1.14.11.16
- UniProt
- Q9NWT6
- Ligands
- 8XQ, FE, SO4
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · resolution 2.45 · 1 distinct chain · 31% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxia-inducible factor 1-alpha inhibitor (EC 1.14.11.30, 1.14.11.16) | protein | 339 | 31% helix, 23% strand | Q9NWT6 |
Ligands and binding sites
- 8XQ · 8-hydroxyquinoline-5-carboxylic acid · ligand · chains A
- FE · Fe (III) ion · metal · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A
- GOL · Glycerol · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 381 | 0.66 | 0.80 | 40 | FE, 8XQ, GOL |
| 2 | 139 | 0.51 | 0.79 | 31 | GOL |
| 3 | 167 | 0.44 | 0.74 | 28 | SO4 |
| 4 | 127 | 0.40 | 0.74 | 24 | empty |
Compared structures
- 4BIO · Factor inhibiting hif-1 alpha in complex with 8-hydroxyquinoline-5- carboxylic acid · 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 4BIO · PDBe 4BIO · UniProt Q9NWT6
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