MolNFT v1 · #77131 · protein
A designed redox-controlled caspase-7
3R5K: “A designed redox-controlled caspase-7”. X-ray diffraction, 3 pockets (best druggability 0.74). MolNFT v1 #77131 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3R5K
- Type
- protein
- Length
- 471 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Caspase-7
- EC
- 3.4.22.60
- UniProt
- P55210
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Caspase-7 (EC 3.4.22.60) | protein | 234 | 30% helix, 23% strand | P55210 |
| B | Caspase-7 (EC 3.4.22.60) | protein | 237 | 30% helix, 24% strand | P55210 |
Ligands and binding sites
- FMT · Formic acid · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 561 | 0.74 | 0.81 | 46 | empty |
| 2 | 65 | 0.57 | 0.89 | 19 | empty |
| 3 | 53 | 0.29 | 0.75 | 18 | FMT |
Interfaces
1 interface between chains.
- A–B · 2258 Ų buried · 31 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 P55210
- Elsewhere: RCSB PDB 3R5K · PDBe 3R5K · UniProt P55210
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