MolNFT v1 · #122124 · protein
Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in aspl that disrupts functional P97 hexamers and induces cell death
5IFW · Tether containing ubx domain for GLUT4: “Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in aspl that disrupts…”. X-ray diffraction, 1 ligand (ADP), 14 pockets (best druggability 0.72). MolNFT v1…
- PDB
- 5IFW
- Type
- protein
- Length
- 885 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tether containing ubx domain for GLUT4; Transitional endoplasmic reticulum ATPase
- EC
- 3.6.4.6
- UniProt
- Q9BZE9, P55072
- Ligands
- ADP
- Pockets
- 14 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tether containing ubx domain for GLUT4 | protein | 183 | 37% helix, 18% strand | Q9BZE9 |
| B | Transitional endoplasmic reticulum ATPase (EC 3.6.4.6) | protein | 702 | 41% helix, 19% strand | P55072 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.72 | 0.99 | 18 | empty |
| 2 | 453 | 0.71 | 0.81 | 49 | empty |
| 3 | 506 | 0.66 | 0.78 | 52 | empty |
| 4 | 300 | 0.57 | 0.76 | 52 | ADP |
| 5 | 66 | 0.56 | 0.88 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2592 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 5IFW · Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in ASPL… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9BZE9 · AlphaFold monomer V2.0 prediction for tether containing ubx domain for GLUT4 (Q9BZE9) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9BZE9
- Every structure of UniProt P55072
- Elsewhere: RCSB PDB 5IFW · PDBe 5IFW · UniProt Q9BZE9 · UniProt P55072
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