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Analogous inhibitors of elastase do not always bind analogously

Analyse Analogous inhibitors of elastase do not always bind analogously in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1ELA
Type
protein
Length
240 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Elastase
EC
3.4.21.36
UniProt
P00772
Ligands
0Z1, CA, SO4

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AElastase (EC 3.4.21.36)protein24010% helix, 39% strandP00772

Ligands and binding sites

  • 0Z1 · 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamide · ligand · chains A
  • CA · Calcium ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A
  • ACY · Acetic acid · additive · chains A

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

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1ELA · Analogous inhibitors of elastase do not always bind analogously · 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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