2MMT

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

Summary for 2MMT

Entry DOI	10.2210/pdb2mmt/pdb
NMR Information	BMRB: 19865
Descriptor	Microcin J25 RGDF mutant (1 entity in total)
Functional Keywords	lasso peptide, epitope grafting, integrin inhibitor, drug design, molecular scaffolds, molecular dynamics, antibiotic
Biological source	Escherichia coli
Cellular location	Secreted: Q9X2V7
Total number of polymer chains	1
Total formula weight	2274.49
Authors	Hegemann, J.D.,Zimmermann, M.,Knappe, T.A.,Xie, X.,Marahiel, M.A. (deposition date: 2014-03-18, release date: 2014-07-02, Last modification date: 2014-07-23)
Primary citation	Hegemann, J.D.,De Simone, M.,Zimmermann, M.,Knappe, T.A.,Xie, X.,Di Leva, F.S.,Marinelli, L.,Novellino, E.,Zahler, S.,Kessler, H.,Marahiel, M.A. Rational improvement of the affinity and selectivity of integrin binding of grafted lasso peptides. J.Med.Chem., 57:5829-5834, 2014 Cited by PubMed: 24949551 DOI: 10.1021/jm5004478 PDB entries with the same primary citation
Experimental method	SOLUTION NMR

Structure validation