Research workbench
Solution structure of the anti-apoptotic protein BCL-xl complexed with an acyl-sulfonamide-based ligand
Analyse Solution structure of the anti-apoptotic protein BCL-xl complexed with an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1YSN
- Type
- protein
- Length
- 181 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Apoptosis regulator BCL-X
- UniProt
- Q07817
- Ligands
- 43B
- Pockets
- 3 · best druggability 0.40
Structure
solution nmr · 1 distinct chain · 61% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Apoptosis regulator BCL-X | protein | 181 | 61% helix, 0% strand | Q07817 |
Ligands and binding sites
- 43B · 3-nitro-N-{4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzoyl}-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.40 | 0.75 | 19 | 43B |
| 2 | 63 | 0.39 | 0.79 | 20 | empty |
| 3 | 74 | 0.32 | 0.74 | 18 | empty |
Compared structures
- 1YSN · Solution structure of the anti-apoptotic protein Bcl-xL complexed 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 0.72
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 1YSN · PDBe 1YSN · UniProt Q07817
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