› 4gvu

X-ray diffraction
1.55Å resolution

Lyngbyastatin 7-Porcine Pancreatic Elastase Co-crystal Structure

Released:
DOI: 10.2210/pdb4gvu/pdb
PDB entry 4gvu coloured by chain, front view.
PDB entry 4gvu coloured by chain, side view.
PDB entry 4gvu coloured by chain, top view.
Source organisms:
Primary publication:
Potent elastase inhibitors from cyanobacteria: structural basis and mechanisms mediating cytoprotective and anti-inflammatory effects in bronchial epithelial cells.
Salvador LA, Taori K, Biggs JS, Jakoncic J, Ostrov DA, Paul VJ, Luesch H
J Med Chem 56 1276-90 (2013)
PMID: 23350733

Function and Biology Details

Reaction catalysed: 
Hydrolysis of proteins, including elastin. Preferential cleavage: Ala-|-.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133476 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Chymotrypsin-like elastase family member 1 Chain: A
Molecule details ›
Chain: A
Length: 240 amino acids
Theoretical weight: 25.93 KDa
Source organism: Sus scrofa
UniProt:
  • Canonical: P00772 (Residues: 27-266; Coverage: 96%)
Gene names: CELA1, ELA1
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Lyngbyastatin 7 Chain: B
Molecule details ›
Chain: B
Length: 8 amino acids
Theoretical weight: 983 Da
Source organism: Lyngbya

Ligands and Environments

2 bound ligands:
Ligand CA 1 x CA
Ligand SO4 1 x SO4
2 modified residues:
Ligand DBU 1 x DBU
Ligand GLJ 1 x GLJ

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X6A
Spacegroup: P212121
Unit cell:
a: 53.399Å b: 57.419Å c: 74.328Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.206

Quick links

Citations

13 review citations

Biological targets and mechanisms of action of natural products from marine cyanobacteria.
Salvador-Reyes et al. (2015)
12 more

5 mentions without citation

Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs.
Gago F. (2023)
4 more