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Solution NMR

Lasso peptide-based integrin inhibitor: Microcin J25 variant with RGDF substitution of Gly12-Ile13-Gly14-Thr15

Released:
DOI: 10.2210/pdb2mmt/pdb
PDB entry 2mmt coloured by chain, ensemble of 15 models, front view.
PDB entry 2mmt coloured by chain, ensemble of 15 models, side view.
PDB entry 2mmt coloured by chain, ensemble of 15 models, top view.
Source organism: Escherichia coli
Primary publication:
Rational Improvement of the Affinity and Selectivity of Integrin Binding of Grafted Lasso Peptides.
Hegemann JD, De Simone M, Zimmermann M, Knappe TA, Xie X, Di Leva FS, Marinelli L, Novellino E, Zahler S, Kessler H, Marahiel MA
J. Med. Chem. (2014)
PMID: 24949551

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: 2.27 KDa
Source organism: Escherichia coli
Expression system: Not provided
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: Not provided

Quick links

Citations

6 review citations

Structure-Based Design of Inhibitors of Protein-Protein Interactions: Mimicking Peptide Binding Epitopes.
Pelay-Gimeno et al. (2015)
5 more

1 mention without citation

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