MolNFT v2 · #16386 · protein
Calpain Domain VI in Complex with the Inhibitor PD150606
1NX3 · Calcium-dependent protease, small subunit: “Calpain Domain VI in Complex with the Inhibitor PD150606”. X-ray diffraction at 2.45, 2 ligands (ISA, CA), 4 pockets (best druggability 0.49). MolNFT v2 #16386 on GenesisL1: 3D structure…
- PDB
- 1NX3
- Type
- protein
- Length
- 173 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.45
- Source
- Sus scrofa
- Molecule
- Calcium-dependent protease, small subunit
- UniProt
- P04574
- Ligands
- ISA, CA
- Pockets
- 4 · best druggability 0.49
Structure
x-ray diffraction · resolution 2.45 · 1 distinct chain · 62% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium-dependent protease, small subunit | protein | 173 | 62% helix, 3% strand | P04574 |
Ligands and binding sites
- ISA · 3-(4-iodo-phenyl)-2-mercapto-propionic acid · ligand · chains A
- CA · Calcium ion · metal · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.49 | 0.84 | 12 | ISA |
| 2 | 93 | 0.37 | 0.75 | 16 | empty |
| 3 | 65 | 0.31 | 0.74 | 12 | empty |
| 4 | 56 | 0.30 | 0.75 | 12 | empty |
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 P04574
- Elsewhere: RCSB PDB 1NX3 · PDBe 1NX3 · UniProt P04574
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