MolNFT v1 · #151330 · protein
Factor inhibiting hif (fih) in complex with zinc, nog and ASPP2 (970- 992)
6HKP · Hypoxia-inducible factor 1-alpha inhibitor: “Factor inhibiting hif (fih) in complex with zinc, nog and ASPP2 (970- 992)”. X-ray diffraction, 3 ligands (OGA, ZN, SO4), 6 pockets (best druggability 0.71). MolNFT v1 #151330 on…
- PDB
- 6HKP
- 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; Apoptosis-stimulating of P53 protein 2
- EC
- 1.14.11.30, 1.14.11.-
- UniProt
- Q9NWT6, Q13625
- Ligands
- OGA, ZN, SO4
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 30% 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 | 338 | 31% helix, 26% strand | Q9NWT6 |
| S | Apoptosis-stimulating of P53 protein 2 | protein | 14 | 0% helix, 0% strand | Q13625 |
Ligands and binding sites
- OGA · N-oxalylglycine · ligand · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 6 copies · chains A, S
- 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.71 | 0.96 | 22 | OGA, ZN |
| 2 | 87 | 0.44 | 0.80 | 24 | GOL |
| 3 | 111 | 0.44 | 0.78 | 23 | empty |
| 4 | 125 | 0.41 | 0.75 | 25 | empty |
| 5 | 83 | 0.40 | 0.78 | 24 | empty |
Interfaces
1 interface between chains.
- A–S · 906 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6HKP · Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP2 (970-992) · 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
- Q13625 · AlphaFold monomer V2.0 prediction for apoptosis-stimulating of P53 protein 2 (Q13625) · a predicted model of the same protein · chain S against A, TM-score 0.36
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 Q13625
- Elsewhere: RCSB PDB 6HKP · PDBe 6HKP · UniProt Q9NWT6 · UniProt Q13625
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