Research workbench
Solution structure of the anti-apoptotic protein BCL-xl in complex with an acyl-sulfonamide-based ligand
Analyse Solution structure of the anti-apoptotic protein BCL-xl in complex with an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1YSI
- 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
- N3B
- Pockets
- 4 · best druggability 0.44
Structure
solution nmr · 1 distinct chain · 55% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Apoptosis regulator BCL-X | protein | 181 | 55% helix, 0% strand | Q07817 |
Ligands and binding sites
- N3B · N-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitro-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
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.44 | 0.76 | 21 | empty |
| 2 | 121 | 0.40 | 0.75 | 23 | N3B |
| 3 | 55 | 0.32 | 0.77 | 15 | empty |
| 4 | 68 | 0.31 | 0.74 | 11 | empty |
Compared structures
- 1YSI · 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 0.72
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 1YSI · PDBe 1YSI · UniProt Q07817
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