MolNFT v1 · #105127 · protein
Crystal structure of BCL-xl in complex with bid BH3 domain
4QVE · BCL-2-like protein 1: “Crystal structure of BCL-xl in complex with bid BH3 domain”. X-ray diffraction, 1 pocket (best druggability 0.57). MolNFT v1 #105127 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QVE
- Type
- protein
- Length
- 164 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BCL-2-like protein 1; Peptide from BH3-interacting domain death agonist
- UniProt
- Q07817, P55957
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BCL-2-like protein 1 | protein | 136 | 74% helix, 0% strand | Q07817 |
| B | Peptide from BH3-interacting domain death agonist | protein | 28 | 64% helix, 0% strand | P55957 |
Ligands and binding sites
- IMD · Imidazole · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 159 | 0.57 | 0.82 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1095 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4QVE · Crystal structure of Bcl-xL in complex with BID BH3 domain · the same entry in another collection · chain A against A, TM-score 1.00
- Q07817 · AlphaFold monomer V2.0 prediction for BCL-2-like protein 1 (Q07817) · a predicted model of the same protein · chain A against A, TM-score 0.96
- P55957 · AlphaFold monomer V2.0 prediction for BH3-interacting domain death agonist (P55957) · a predicted model of the same protein · chain B against A, TM-score 0.71
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 Q07817
- Every structure of UniProt P55957
- Elsewhere: RCSB PDB 4QVE · PDBe 4QVE · UniProt Q07817 · UniProt P55957
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