MolNFT v1 · #84418 · protein
Crystal structure of BCL-xl in complex with inhibitor (compound 2).
3ZK6 · BCL-2-like protein 1: “Crystal structure of BCL-xl in complex with inhibitor (compound 2).”. X-ray diffraction, 1 ligand (H1I), 1 pocket (best druggability 0.73). MolNFT v1 #84418 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3ZK6
- Type
- protein
- Length
- 288 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BCL-2-like protein 1
- UniProt
- Q07817
- Ligands
- H1I
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | BCL-2-like protein 1 | protein | 144 | 72% helix, 1% strand | Q07817 |
Ligands and binding sites
- H1I · N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 678 | 0.73 | 0.79 | 66 | H1I |
Interfaces
1 interface between chains.
- A–B · 421 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
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 3ZK6 · PDBe 3ZK6 · UniProt Q07817
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