MolNFT v1 · #168449 · protein
Crystal structure of hybcl-2-4 with hybax BH3
6WH0 · Maltodextrin-binding PROTEIN,BCL-2-like 4: “Crystal structure of hybcl-2-4 with hybax BH3”. X-ray diffraction, 1 ligand (GLC), 5 pockets (best druggability 0.72). MolNFT v1 #168449 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6WH0
- Type
- protein
- Length
- 550 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltodextrin-binding PROTEIN,BCL-2-like 4; Apoptosis regulator bax
- UniProt
- C3SHQ8, A7LM80, T2MDZ0
- Ligands
- GLC
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltodextrin-binding PROTEIN,BCL-2-like 4 | protein | 524 | 54% helix, 13% strand | C3SHQ8, A7LM80 |
| B | Apoptosis regulator bax | protein | 26 | 73% helix, 0% strand | T2MDZ0 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 426 | 0.72 | 0.82 | 35 | GLC |
| 2 | 447 | 0.69 | 0.81 | 52 | empty |
| 3 | 182 | 0.51 | 0.77 | 16 | empty |
| 4 | 120 | 0.43 | 0.77 | 26 | empty |
| 5 | 68 | 0.36 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1034 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6WH0 · Crystal structure of HyBcl-2-4 with HyBax BH3 · the same entry in another collection · chain A against A, TM-score 1.00
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 C3SHQ8
- Every structure of UniProt A7LM80
- Every structure of UniProt T2MDZ0
- Elsewhere: RCSB PDB 6WH0 · PDBe 6WH0 · UniProt C3SHQ8 · UniProt A7LM80 · UniProt T2MDZ0
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