MolNFT v1 · #46357 · protein
Solution structure of the anti-apoptotic protein BCL-2 in complex with an acyl-sulfonamide-based ligand
2O22 · Apoptosis regulator BCL-2: “Solution structure of the anti-apoptotic protein BCL-2 in complex with an acyl-sulfonamide-based ligand”. Solution nmr, 1 ligand (LIU), 2 pockets (best druggability 0.65). MolNFT v1 #46357 on GenesisL1…
- PDB
- 2O22
- Type
- protein
- Length
- 164 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Apoptosis regulator BCL-2
- UniProt
- P10415, Q07817
- Ligands
- LIU
- Pockets
- 2 · best druggability 0.65
Structure
solution nmr · 1 distinct chain · 66% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Apoptosis regulator BCL-2 | protein | 164 | 66% helix, 0% strand | P10415, Q07817 |
Ligands and binding sites
- LIU · N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 100 | 0.65 | 0.89 | 23 | empty |
| 2 | 79 | 0.36 | 0.76 | 19 | empty |
Compared structures
- 2O22 · Solution structure of the anti-apoptotic protein Bcl-2 in complex with an… · the same entry in another collection · chain A against A, TM-score 1.00
- P10415 · AlphaFold monomer V2.0 prediction for apoptosis regulator BCL-2 (P10415) · a predicted model of the same protein · chain A against A, TM-score 0.82
- 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 0.82
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 P10415
- Every structure of UniProt Q07817
- Elsewhere: RCSB PDB 2O22 · PDBe 2O22 · UniProt P10415 · UniProt Q07817
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