MolNFT v1 · #46377 · protein
Solution structure of the anti-apoptotic protein BCL-xl in complex with an acyl-sulfonamide-based ligand
2O2M · Apoptosis regulator BCL-X: “Solution structure of the anti-apoptotic protein BCL-xl in complex with an acyl-sulfonamide-based ligand”. Solution nmr, 1 ligand (LI0), 2 pockets (best druggability 0.48). MolNFT v1 #46377 on GenesisL1…
- PDB
- 2O2M
- Type
- protein
- Length
- 145 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Apoptosis regulator BCL-X
- UniProt
- Q07817
- Ligands
- LI0
- Pockets
- 2 · best druggability 0.48
Structure
solution nmr · 1 distinct chain · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Apoptosis regulator BCL-X | protein | 145 | 70% helix, 0% strand | Q07817 |
Ligands and binding sites
- LI0 · 4-(4-benzyl-4-methoxypiperidin-1-yl)-N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 129 | 0.48 | 0.78 | 17 | empty |
| 2 | 51 | 0.27 | 0.74 | 12 | empty |
Compared structures
- 2O2M · Solution structure of the anti-apoptotic protein Bcl-xL in complex with an… · 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 0.89
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
- Elsewhere: RCSB PDB 2O2M · PDBe 2O2M · UniProt Q07817
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