MolNFT v1 · #151347 · protein
Factor inhibiting hif (fih) in complex with zinc, nog and IASPP(670- 693)
6HL6 · Hypoxia-inducible factor 1-alpha inhibitor: “Factor inhibiting hif (fih) in complex with zinc, nog and IASPP(670- 693)”. X-ray diffraction, 3 ligands (OGA, ZN, SO4), 6 pockets (best druggability 0.74). MolNFT v1 #151347 on…
- PDB
- 6HL6
- Type
- protein
- Length
- 352 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxia-inducible factor 1-alpha inhibitor; Rela-associated inhibitor
- EC
- 1.14.11.30, 1.14.11.-
- UniProt
- Q9NWT6, Q8WUF5
- Ligands
- OGA, ZN, SO4
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 25% 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 | 335 | 31% helix, 26% strand | Q9NWT6 |
| S | Rela-associated inhibitor | protein | 17 | 29% helix, 0% strand | Q8WUF5 |
Ligands and binding sites
- OGA · N-oxalylglycine · ligand · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- GOL · Glycerol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.74 | 0.97 | 22 | ZN, OGA |
| 2 | 145 | 0.51 | 0.79 | 26 | empty |
| 3 | 102 | 0.46 | 0.79 | 24 | GOL |
| 4 | 99 | 0.38 | 0.75 | 21 | empty |
| 5 | 78 | 0.33 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–S · 950 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6HL6 · Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693) · 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
- Q8WUF5 · AlphaFold monomer V2.0 prediction for rela-associated inhibitor (Q8WUF5) · a predicted model of the same protein · chain S against A, TM-score 0.45
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 Q8WUF5
- Elsewhere: RCSB PDB 6HL6 · PDBe 6HL6 · UniProt Q9NWT6 · UniProt Q8WUF5
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