Research workbench
Crystal structure of BCL-xl in complex with computationally designed inhibitor protein
Analyse Crystal structure of BCL-xl in complex with computationally designed inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7XGF
- Type
- protein
- Length
- 918 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BCL-xl and mcl-1 dual inhibitor 2; BCL-xl
- Pockets
- 16 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | BCL-xl and mcl-1 dual inhibitor 2 | protein | 162 | 88% helix, 0% strand | — |
| B, E | BCL-xl | protein | 151 | 77% helix, 0% strand | — |
| C | BCL-xl | protein | 148 | 78% helix, 0% strand | — |
| F | BCL-xl | protein | 144 | 77% helix, 0% strand | — |
Pockets
16 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 216 | 0.71 | 0.88 | 39 | empty |
| 2 | 60 | 0.59 | 0.90 | 15 | empty |
| 3 | 56 | 0.59 | 0.91 | 14 | empty |
| 4 | 100 | 0.49 | 0.81 | 16 | empty |
| 5 | 93 | 0.45 | 0.80 | 17 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1443 Ų buried · 24 hydrogen bonds · protein-protein
- D–F · 1391 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 1385 Ų buried · 19 hydrogen bonds · protein-protein
- D–E · 1381 Ų buried · 19 hydrogen bonds · protein-protein
- B–E · 663 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 7XGF · Crystal structure of BCL-xL in complex with computationally designed inhibitor protein · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 7XGF · PDBe 7XGF
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