MolNFT v1 · #81912 · protein
Inhibition of caspase-6 activity by single mutation outside the active site
3V6M: “Inhibition of caspase-6 activity by single mutation outside the active site”. X-ray diffraction, 20 pockets (best druggability 0.60). MolNFT v1 #81912 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3V6M
- Type
- protein
- Length
- 1,635 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Caspase-6
- EC
- 3.4.22.59
- UniProt
- P55212
- Pockets
- 20 · best druggability 0.60
Structure
x-ray diffraction · 5 distinct chains · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Caspase-6 (EC 3.4.22.59) | protein | 205 | 32% helix, 22% strand | P55212 |
| B, D, G, I | Caspase-6 (EC 3.4.22.59) | protein | 204 | 32% helix, 23% strand | P55212 |
| C | Caspase-6 (EC 3.4.22.59) | protein | 205 | 32% helix, 23% strand | P55212 |
| F | Caspase-6 (EC 3.4.22.59) | protein | 203 | 33% helix, 22% strand | P55212 |
| J | Caspase-6 (EC 3.4.22.59) | protein | 206 | 33% helix, 23% strand | P55212 |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 78 | 0.60 | 0.89 | 29 | empty |
| 2 | 207 | 0.58 | 0.80 | 43 | empty |
| 3 | 64 | 0.58 | 0.90 | 30 | empty |
| 4 | 187 | 0.57 | 0.80 | 36 | empty |
| 5 | 261 | 0.57 | 0.77 | 40 | empty |
Interfaces
9 interfaces between chains.
- I–J · 1306 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1178 Ų buried · 15 hydrogen bonds · protein-protein
- F–G · 1156 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1122 Ų buried · 15 hydrogen bonds · protein-protein
- F–I · 743 Ų buried · 8 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 3V6M · PDBe 3V6M · UniProt P55212
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