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MolNFT v1 · #16113 · protein

18-K C-terminally trunucated small subunit of calpain

1NP8 · Calcium-dependent protease, small subunit: “18-K C-terminally trunucated small subunit of calpain”. X-ray diffraction, 1 ligand (CD), 2 pockets (best druggability 0.53). MolNFT v1 #16113 on GenesisL1: 3D structure, binding sites and…

PDB
1NP8
Type
protein
Length
298 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calcium-dependent protease, small subunit
UniProt
Q64537
Ligands
CD
Pockets
2 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCalcium-dependent protease, small subunitprotein14965% helix, 3% strandQ64537

Ligands and binding sites

  • CD · Cadmium ion · metal · 13 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12700.530.7547empty
22140.490.7631empty

Interfaces

1 interface between chains.

  • A–B · 817 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 1NP8 · 18-k C-terminally trunucated small subunit of calpain · the same entry in another collection · chain A against A, TM-score 1.00
  • Q64537 · AlphaFold monomer V2.0 prediction for calpain small subunit 1 (Q64537) · a predicted model of the same protein · chain A against A, TM-score 0.98

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