MolNFT v1 · #96687 · protein
Human procaspase-3, crystal form 2
4JQZ: “Human procaspase-3, crystal form 2”. X-ray diffraction, 3 pockets (best druggability 0.63). MolNFT v1 #96687 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4JQZ
- Type
- protein
- Length
- 379 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Procaspase-3
- EC
- 3.4.22.56
- UniProt
- P42574
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Procaspase-3 (EC 3.4.22.56) | protein | 197 | 34% helix, 24% strand | P42574 |
| B | Procaspase-3 (EC 3.4.22.56) | protein | 182 | 37% helix, 22% strand | P42574 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 455 | 0.63 | 0.77 | 61 | empty |
| 2 | 94 | 0.47 | 0.81 | 18 | empty |
| 3 | 89 | 0.32 | 0.73 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1137 Ų buried · 21 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 P42574
- Elsewhere: RCSB PDB 4JQZ · PDBe 4JQZ · UniProt P42574
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