Research workbench
Crystal structure of human ligand-free mature caspase-6
Analyse Crystal structure of human ligand-free mature caspase-6 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3K7E
- Type
- protein
- Length
- 839 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Caspase-6
- EC
- 3.4.22.59
- UniProt
- P55212
- Pockets
- 12 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Caspase-6 (EC 3.4.22.59) | protein | 214 | 36% helix, 20% strand | P55212 |
| B | Caspase-6 (EC 3.4.22.59) | protein | 200 | 38% helix, 21% strand | P55212 |
| C | Caspase-6 (EC 3.4.22.59) | protein | 212 | 36% helix, 20% strand | P55212 |
| D | Caspase-6 (EC 3.4.22.59) | protein | 213 | 36% helix, 19% strand | P55212 |
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 565 | 0.85 | 0.90 | 66 | empty |
| 2 | 255 | 0.66 | 0.83 | 47 | empty |
| 3 | 313 | 0.59 | 0.77 | 37 | empty |
| 4 | 367 | 0.59 | 0.76 | 46 | empty |
| 5 | 231 | 0.49 | 0.75 | 34 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1238 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1130 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 306 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 272 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 163 Ų buried · 0 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 P55212
- Elsewhere: RCSB PDB 3K7E · PDBe 3K7E · UniProt P55212
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