MolNFT v1 · #69001 · protein
Factor inhibiting hif-1 alpha in complex with 8-hydroxyquinoline
3KCY · Hypoxia-inducible factor 1-alpha inhibitor: “Factor inhibiting hif-1 alpha in complex with 8-hydroxyquinoline”. X-ray diffraction, 3 ligands (HQY, FE2, SO4), 5 pockets (best druggability 0.67). MolNFT v1 #69001 on GenesisL1: 3D…
- PDB
- 3KCY
- Type
- protein
- Length
- 332 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxia-inducible factor 1-alpha inhibitor
- EC
- 1.14.11.16
- UniProt
- Q9NWT6
- Ligands
- HQY, FE2, SO4
- Pockets
- 5 · best druggability 0.67
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 1.14.11.16) | protein | 332 | 30% helix, 24% strand | Q9NWT6 |
Ligands and binding sites
- HQY · quinolin-8-ol · ligand · chains A
- FE2 · Fe (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 291 | 0.67 | 0.82 | 37 | FE2, HQY |
| 2 | 51 | 0.40 | 0.82 | 16 | empty |
| 3 | 57 | 0.34 | 0.77 | 18 | empty |
| 4 | 79 | 0.29 | 0.72 | 18 | empty |
| 5 | 59 | 0.26 | 0.73 | 14 | empty |
Compared structures
- 3KCY · Factor inhibiting HIF-1 alpha in complex with 8-hydroxyquinoline · 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 3KCY · PDBe 3KCY · UniProt Q9NWT6
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