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MolNFT v1 · #5548 · protein

Analogous inhibitors of elastase do not always bind analogously

1ELC: “Analogous inhibitors of elastase do not always bind analogously”. X-ray diffraction, 2 ligands (0Z3, CA). MolNFT v1 #5548 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1ELC
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
0Z3, CA

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AElastase (EC 3.4.21.36)protein24011% helix, 40% strandP00772

Ligands and binding sites

  • 0Z3 · 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-phenylalaninamide · ligand · chains A
  • CA · Calcium ion · metal · 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

  • 1ELC · 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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