› 6th7

X-ray diffraction
2.2Å resolution

Structure of porcine pancreatic elastase in complex with tutuilamide

Released:
DOI: 10.2210/pdb6th7/pdb
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PDB entry 6th7 coloured by chain, front view.
PDB entry 6th7 coloured by chain, side view.
PDB entry 6th7 coloured by chain, top view.
Source organisms:
Primary publication:
Tutuilamides A-C: Vinyl-Chloride-Containing Cyclodepsipeptides from Marine Cyanobacteria with Potent Elastase Inhibitory Properties.
Keller L, Canuto KM, Liu C, Suzuki BM, Almaliti J, Sikandar A, Naman CB, Glukhov E, Luo D, Duggan BM, Luesch H, Koehnke J, O'Donoghue AJ, Gerwick WH
ACS Chem Biol 15 751-757 (2020)
PMID: 31935054

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-133477 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Chymotrypsin-like elastase family member 1 Chains: A, B
Molecule details ›
Chains: A, B
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
Tutuilamide Chain: C
Molecule details ›
Chain: C
Length: 9 amino acids
Theoretical weight: 1.01 KDa
Source organism: synthetic construct
Expression system: Not provided
Tutuilamide Chain: D

Ligands and Environments

1 bound ligand:
Ligand CA 2 x CA
3 modified residues:
Ligand AA4 2 x AA4
Ligand ABA 4 x ABA
Ligand 5XU 2 x 5XU

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE MASSIF-3
Spacegroup: P212121
Unit cell:
a: 61.258Å b: 99.114Å c: 117.034Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.202 0.2 0.244
Expression system: Not provided

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Citations

13 review citations

Natural Products, Alone or in Combination with FDA-Approved Drugs, to Treat COVID-19 and Lung Cancer.
Yang et al. (2021)
12 more

4 mentions without citation

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

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