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MolNFT v1 · #13687 · protein

Porcine pancreatic ELASTASE/NA-complex

1LKB · Elastase 1: “Porcine pancreatic ELASTASE/NA-complex”. X-ray diffraction, 3 ligands (NA, SO4, CL), 2 pockets (best druggability 0.37). MolNFT v1 #13687 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1LKB
Type
protein
Length
240 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Elastase 1
EC
3.4.21.36
UniProt
P00772
Ligands
NA, SO4, CL
Pockets
2 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AElastase 1 (EC 3.4.21.36)protein24011% helix, 39% strandP00772

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • CL · Chloride ion · ion · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11010.370.7527SO4
2600.340.7712CL

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1LKB · Porcine Pancreatic Elastase/Na-Complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P00772 · AlphaFold monomer V2.0 prediction for chymotrypsin-like elastase family member 1 (P00772) · a predicted model of the same protein · chain A against A, TM-score 1.00

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