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The crystal structure of a bak dimer activated by detergent
Analyse The crystal structure of a bak dimer activated by detergent in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7K02
- Type
- protein
- Length
- 651 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BCL-2 homologous ANTAGONIST/KILLER
- UniProt
- Q16611
- Pockets
- 11 · best druggability 0.72
Structure
x-ray diffraction · 5 distinct chains · 85% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BCL-2 homologous ANTAGONIST/KILLER | protein | 105 | 83% helix, 0% strand | Q16611 |
| B, C | BCL-2 homologous ANTAGONIST/KILLER | protein | 117 | 87% helix, 0% strand | Q16611 |
| D | BCL-2 homologous ANTAGONIST/KILLER | protein | 104 | 83% helix, 0% strand | Q16611 |
| E | BCL-2 homologous ANTAGONIST/KILLER | protein | 106 | 86% helix, 0% strand | Q16611 |
| F | BCL-2 homologous ANTAGONIST/KILLER | protein | 102 | 86% helix, 0% strand | Q16611 |
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 941 | 0.72 | 0.76 | 53 | empty |
| 2 | 52 | 0.68 | 0.96 | 13 | empty |
| 3 | 69 | 0.52 | 0.85 | 14 | empty |
| 4 | 85 | 0.51 | 0.83 | 18 | empty |
| 5 | 219 | 0.51 | 0.76 | 24 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1892 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1861 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 1628 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 1397 Ų buried · 2 hydrogen bonds · protein-protein
- D–E · 1258 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7K02 · The crystal structure of a BAK dimer activated by detergent · the same entry in another collection · chain F against F, TM-score 1.00
- Q16611 · AlphaFold monomer V2.0 prediction for BCL-2 homologous ANTAGONIST/KILLER (Q16611) · a predicted model of the same protein · chain D against A, TM-score 0.54
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 Q16611
- Elsewhere: RCSB PDB 7K02 · PDBe 7K02 · UniProt Q16611
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