PPIRE10574

Target Protein Information
Protein_Name UDP-N-acetylmuramoylalanine--D-glutamate ligase
Protein_Sequence MADYQGKNVVIIGLGLTGLSCVDFFLARGVTPRVMDTRMTPPGLDKLPEAVERHTGSLNDEWLMAADLIVASPGIALAHPSLSAAADAGIEIVGDIELFCREAQAPIVAITGSNGKSTVTTLVGEMAKAAGVNVGVGGNIGLPALMLLDDECELYVLELSSFQLETTSSLQAVAATILNVTEDHMDRYPFGLQQYRAAKLRIYENAKVCVVNADDALTMPIRGADERCVSFGVNMGDYHLNHQQGETWLRVKGEKVLNVKEMKLSGQHNYTNALAALALADAAGLPRASSLKALTTFTGLPHRFEVVLEHNGVRWINDSKATNVGSTEAALNGLHVDGTLHLLLGGDGKSADFSPLARYLNGDNVRLYCFGRDGAQLAALRPEVAEQTETMEQAMRLLAPRVQPGDMVLLSPACASLDQFKNFEQRGNEFARLAKELG
Organism_Source Escherichia coli (strain K12)
Functional_Classification ligases
Cellular_Localization Cytoplasm
Gene_Names murD
UniProt_ID P14900
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name MD-12
Peptide_Sequence HSSWYIQHFPPL
Peptide_Length 12
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1511.70
Aliphatic_Index 65.00000
Aromaticity 0.25000
Average_Rotatable_Bonds 3.33333
Charge_at_pH_7 0.17895
Isoelectric_Point 7.70606
Number_of_Hydrogen_Bond_Acceptors 19
Number_of_Hydrogen_Bond_Donors 18
Topological_Polar_Surface_Area 542.77000
X_logP_energy -2.06760
Interaction Information
Affinity IC50=140 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Peptide inhibitors of MurD and MurE, essential enzymes of bacterial cell wall biosynthesis.
Release_Year 2008
PMID 18506905
DOI 10.1002/jobm.200700133