MolNFT v1 · #165559 · protein
Crystal structure of african swine fever virus A179L with the autophagy regulator beclin
6TZC · MALTOSE/MALTODEXTRIN-binding periplasmic protein: “Crystal structure of african swine fever virus A179L with the autophagy regulator beclin”. X-ray diffraction, 1 ligand (GLC), 4 pockets (best druggability 0.72). MolNFT v1 #165559…
- PDB
- 6TZC
- Type
- protein
- Length
- 531 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MALTOSE/MALTODEXTRIN-binding periplasmic protein; Apoptosis regulator BCL-2 homolog…
- UniProt
- P0AEX9, P42485, Q4A1L5
- Ligands
- GLC
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 56% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MALTOSE/MALTODEXTRIN-binding periplasmic protein | protein | 367 | 46% helix, 21% strand | P0AEX9 |
| B | Apoptosis regulator BCL-2 homolog | protein | 144 | 80% helix, 0% strand | P42485 |
| C | Beclin-1 | protein | 20 | 85% helix, 0% strand | Q4A1L5 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 290 | 0.72 | 0.85 | 29 | GLC |
| 2 | 215 | 0.61 | 0.82 | 27 | empty |
| 3 | 281 | 0.51 | 0.74 | 39 | empty |
| 4 | 79 | 0.34 | 0.75 | 21 | empty |
Interfaces
2 interfaces between chains.
- B–C · 910 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 316 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6TZC · Crystal Structure of African Swine Fever Virus A179L with the Autophagy Regulator Beclin · the same entry in another collection · chain A against A, TM-score 1.00
- Q4A1L5 · AlphaFold monomer V2.0 prediction for beclin-1 (Q4A1L5) · a predicted model of the same protein · chain C against A, TM-score 0.76
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 P0AEX9
- Every structure of UniProt P42485
- Every structure of UniProt Q4A1L5
- Elsewhere: RCSB PDB 6TZC · PDBe 6TZC · UniProt P0AEX9 · UniProt P42485 · UniProt Q4A1L5
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