MolNFT v1 · #28907 · protein
Solution structure of the anti-apoptotic protein BCL-xl in complex with "sar by NMR" ligands
1YSG · Apoptosis regulator BCL-X: “Solution structure of the anti-apoptotic protein BCL-xl in complex with "sar by NMR" ligands”. Solution nmr, 2 ligands (4FC, TN1), 2 pockets (best druggability 0.46). MolNFT v1 #28907 on GenesisL1: 3D…
- PDB
- 1YSG
- 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
- 4FC, TN1
- Pockets
- 2 · best druggability 0.46
Structure
solution nmr · 1 distinct chain · 51% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Apoptosis regulator BCL-X | protein | 181 | 51% helix, 0% strand | Q07817 |
Ligands and binding sites
- 4FC · 4'-fluoro-1,1'-biphenyl-4-carboxylic acid · ligand · chains A
- TN1 · 5,6,7,8-tetrahydronaphthalen-1-ol · 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 | 162 | 0.46 | 0.76 | 25 | empty |
| 2 | 106 | 0.38 | 0.75 | 23 | TN1 |
Compared structures
- 1YSG · Solution Structure of the Anti-apoptotic Protein Bcl-xL in Complex with "SAR by NMR"… · 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 0.73
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 1YSG · PDBe 1YSG · UniProt Q07817
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