2MMT

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

Summary for 2MMT

DescriptorMicrocin J25 RGDF mutant (1 entity in total)
Functional Keywordslasso peptide, epitope grafting, integrin inhibitor, drug design, molecular scaffolds, molecular dynamics, antibiotic
Biological sourceEscherichia coli
Cellular locationSecreted Q9X2V7
Total number of polymer chains1
Total molecular weight2274.49
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
PubMed: 24949551 (PDB entries with the same primary citation)
DOI: 10.1021/jm5004478
MImport into Mendeley
Experimental method
SOLUTION NMR
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliers303.6%MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all NMR structures