PPIRE09113

Target Protein Information
Protein_Name UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--L-lysine ligase
Protein_Sequence MDASTLFKKVKVKRVLGSLEQQIDDITTDSRTAREGSIFVASVGYTVDSHKFCQNVADQGCKLVVVNKEQSLPANVTQVVVPDTLRVASILAHTLYDYPSHQLVTFGVTGTNGKTSIATMIHLIQRKLQKNSAYLGTNGFQINETKTKGANTTPETVSLTKKIKEAVDAGAESMTLEVSSHGLVLGRLRGVEFDVAIFSNLTQDHLDFHGTMEAYGHAKSLLFSQLGEDLSKEKYVVLNNDDSFSEYLRTVTPYEVFSYGIDEEAQFMAKNIQESLQGVSFDFVTPFGTYPVKSPYVGKFNISNIMAAMIAVWSKGTSLETIIKAVENLEPVEGRLEVLDPSLPIDLIIDYAHTADGMNKLIDAVQPFVKQKLIFLVGMAGERDLTKTPEMGRVACRADYVIFTPDNPANDDPKMLTAELAKGATHQNYIEFDDRAEGIKHAIDIAEPGDTVVLASKGREPYQIMPGHIKVPHRDDLIGLEAAYKKFGGGPVD
Organism_Source Staphylococcus aureus (strain COL)
Functional_Classification ligases
Cellular_Localization Cytoplasm
Gene_Names murE
UniProt_ID O86491
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name ME-C7C
Peptide_Sequence CQANLRSQC
Peptide_Length 9
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=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 1022.16
Aliphatic_Index 54.44444
Aromaticity 0.00000
Average_Rotatable_Bonds 3.77778
Charge_at_pH_7 0.87403
Isoelectric_Point 8.23141
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 507.52000
X_logP_energy -8.13573
Interaction Information
Affinity IC50=1100 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