PPIRE09024

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-C7C_1
Peptide_Sequence CPAHWPHPC
Peptide_Length 9
Peptide_SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C1<->C9; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1047.22
Aliphatic_Index 11.11111
Aromaticity 0.11111
Average_Rotatable_Bonds 2.44444
Charge_at_pH_7 0.05585
Isoelectric_Point 7.41916
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 12
Topological_Polar_Surface_Area 342.90000
X_logP_energy -1.66960
Interaction Information
Affinity IC50=1500 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