Research workbench
Crystal structure of BCL-2 in complex with a bax BH3 peptide
Analyse Crystal structure of BCL-2 in complex with a bax BH3 peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2XA0
- Type
- protein
- Length
- 326 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Apoptosis regulator BCL-2; Apoptosis regulator bax
- UniProt
- P10415, Q07813
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Apoptosis regulator BCL-2 | protein | 137 | 76% helix, 0% strand | P10415 |
| C, D | Apoptosis regulator bax | protein | 26 | 85% helix, 0% strand | Q07813 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 216 | 0.73 | 0.89 | 34 | empty |
| 2 | 128 | 0.49 | 0.79 | 18 | empty |
| 3 | 89 | 0.43 | 0.79 | 12 | empty |
| 4 | 91 | 0.41 | 0.78 | 15 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1193 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 1166 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 436 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 126 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 103 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2XA0 · Crystal structure of BCL-2 in complex with a BAX BH3 peptide · the same entry in another collection · chain D against D, TM-score 1.00
- P10415 · AlphaFold monomer V2.0 prediction for apoptosis regulator BCL-2 (P10415) · a predicted model of the same protein · chain B against A, TM-score 0.95
- Q07813 · AlphaFold monomer V2.0 prediction for apoptosis regulator bax (Q07813) · a predicted model of the same protein · chain C against A, TM-score 0.77
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 P10415
- Every structure of UniProt Q07813
- Elsewhere: RCSB PDB 2XA0 · PDBe 2XA0 · UniProt P10415 · UniProt Q07813
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