Research workbench
Crystal structure of BCL-2 in complex with the novel orally active inhibitor S55746
Analyse Crystal structure of BCL-2 in complex with the novel orally active inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GL8
- Type
- protein
- Length
- 144 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Apoptosis regulator BCL-2,APOPTOSIS regulator BCL-2, apoptosis regulator BCL-2,BCL-2-like…
- UniProt
- P10415
- Ligands
- F3Q
- Pockets
- 1 · best druggability 0.40
Structure
x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Apoptosis regulator BCL-2,APOPTOSIS regulator BCL-2, apoptosis regulator BCL-2,BCL-2-like protein 1,APOPTOSIS regulator BCL-2,APOPTOSIS regulator BCL-2,APOPTOSIS regulator BCL-2 | protein | 144 | 78% helix, 0% strand | P10415 |
Ligands and binding sites
- F3Q · ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7, 8-tetrahydroindolizine-1-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.40 | 0.75 | 13 | F3Q |
Compared structures
- 6GL8 · Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 · 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 0.95
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
- Elsewhere: RCSB PDB 6GL8 · PDBe 6GL8 · UniProt P10415
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