Research workbench
Factor inhibiting hif-1 alpha in complex with tankyrase-2 (TNKS2) fragment peptide (21-mer)
Analyse Factor inhibiting hif-1 alpha in complex with tankyrase-2 (TNKS2) fragment… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Y0I
- Type
- protein
- Length
- 353 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxia-inducible factor 1-alpha inhibitor; Tankyrase-2
- EC
- 1.14.11.16, 2.4.2.30
- UniProt
- Q9NWT6, Q9H2K2
- Ligands
- AKG, FE2, SO4
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxia-inducible factor 1-alpha inhibitor (EC 1.14.11.16) | protein | 339 | 30% helix, 24% strand | Q9NWT6 |
| S | Tankyrase-2 (EC 2.4.2.30) | protein | 14 | 43% helix, 0% strand | Q9H2K2 |
Ligands and binding sites
- AKG · 2-oxoglutaric acid · ligand · chains A, S
- FE2 · Fe (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.69 | 0.97 | 16 | FE2, AKG |
| 2 | 163 | 0.51 | 0.78 | 25 | empty |
| 3 | 97 | 0.44 | 0.79 | 24 | GOL |
| 4 | 124 | 0.43 | 0.76 | 26 | empty |
| 5 | 79 | 0.37 | 0.76 | 22 | empty |
Interfaces
1 interface between chains.
- A–S · 937 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2Y0I · Factor inhibiting hif-1 alpha in complex with tankyrase-2 (TNKS2) fragment peptide… · 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
- Every structure of UniProt Q9H2K2
- Elsewhere: RCSB PDB 2Y0I · PDBe 2Y0I · UniProt Q9NWT6 · UniProt Q9H2K2
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