Research workbench
Factor inhibiting hif-1 alpha D201G mutant in complex with ZN(II), alpha-ketoglutarate and hif-1 alpha 19MER
Analyse Factor inhibiting hif-1 alpha D201G mutant in complex with ZN(II)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3D8C
- Type
- protein
- Length
- 354 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxia-inducible factor 1 alpha inhibitor; Hypoxia-inducible factor 1 alpha
- EC
- 1.14.11.16
- UniProt
- Q9NWT6
- Ligands
- AKG, ZN, SO4
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxia-inducible factor 1 alpha inhibitor (EC 1.14.11.16) | protein | 341 | 29% helix, 26% strand | Q9NWT6 |
| B | Hypoxia-inducible factor 1 alpha | protein | 13 | 0% helix, 0% strand | — |
Ligands and binding sites
- AKG · 2-oxoglutaric acid · ligand · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 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 | 83 | 0.74 | 0.96 | 21 | ZN, AKG |
| 2 | 127 | 0.51 | 0.80 | 30 | GOL |
| 3 | 85 | 0.43 | 0.80 | 24 | empty |
| 4 | 108 | 0.43 | 0.77 | 19 | empty |
| 5 | 110 | 0.40 | 0.75 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 929 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3D8C · Factor inhibiting HIF-1 alpha D201G mutant in complex with ZN(II), alpha-ketoglutarate… · the same entry in another collection · chain B against B, 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 0.94
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 3D8C · PDBe 3D8C · UniProt Q9NWT6
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