MolNFT v1 · #78963 · protein
Crystal structure of BCL-xl bound to BM903
3SP7 · BCL-2-like protein 1: “Crystal structure of BCL-xl bound to BM903”. X-ray diffraction, 2 ligands (03B, ZN), 3 pockets (best druggability 0.43). MolNFT v1 #78963 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3SP7
- Type
- protein
- Length
- 150 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BCL-2-like protein 1
- UniProt
- Q07817
- Ligands
- 03B, ZN
- Pockets
- 3 · best druggability 0.43
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BCL-2-like protein 1 | protein | 150 | 73% helix, 0% strand | Q07817 |
Ligands and binding sites
- 03B · 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid · ligand · chains A
- ZN · Zinc ion · metal · 4 copies · chains A
- ACT · Acetate ion · additive · 3 copies · 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 | 95 | 0.43 | 0.77 | 14 | empty |
| 2 | 65 | 0.39 | 0.80 | 15 | ZN, ACT |
| 3 | 76 | 0.32 | 0.74 | 12 | empty |
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 3SP7 · PDBe 3SP7 · UniProt Q07817
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