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Solution NMR

LASSO PEPTIDE BASED INTEGRIN INHIBITOR: MICROCIN J25 VARIANT WITH RGD SUBSTITUTION of GLY12-ILE13-GLY14

Released:
DOI: 10.2210/pdb2mmw/pdb
PDB entry 2mmw coloured by chain, ensemble of 20 models, front view.
PDB entry 2mmw coloured by chain, ensemble of 20 models, side view.
PDB entry 2mmw coloured by chain, ensemble of 20 models, top view.
Source organism: Escherichia coli
Primary publication:
Introducing lasso peptides as molecular scaffolds for drug design: engineering of an integrin antagonist.
Knappe TA, Manzenrieder F, Mas-Moruno C, Linne U, Sasse F, Kessler H, Xie X, Marahiel MA
Angew Chem Int Ed Engl 50 8714-7 (2011)
PMID: 21812076

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-194901 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Microcin J25 Chain: A
Molecule details ›
Chain: A
Length: 21 amino acids
Theoretical weight: 2.23 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9X2V7 (Residues: 38-58; Coverage: 36%)
Gene name: mcjA

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 45%
Refinement method: simulated annealing
Expression system: Escherichia coli

Quick links

Citations

12 review citations

The future of peptide-based drugs.
Craik et al. (2013)
11 more

1 mention without citation

Recent Advances and Perspectives on Expanding the Chemical Diversity of Lasso Peptides.
Wang et al. (2021)