PPIRE11059

Target Protein Information
Protein_Name Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase
Protein_Sequence MIDKSAFVHPTAIVEEGASIGANAHIGPFCIVGPHVEIGEGTVLKSHVVVNGHTKIGRDNEIYQFASIGEVNQDLKYAGEPTRVEIGDRNRIRESVTIHRGTVQGGGLTKVGSDNLLMINAHIAHDCTVGNRCILANNATLAGHVSVDDFAIIGGMTAVHQFCIIGAHVMVGGCSGVAQDVPPYVIAQGNHATPFGVNIEGLKRRGFSREAITAIRNAYKLIYRSGKTLDEVKPEIAELAETYPEVKAFTDFFARSTRGLIR
Organism_Source Escherichia coli (strain K12)
Functional_Classification acyltransferases
Cellular_Localization Cytoplasm
Gene_Names lpxA
UniProt_ID P0A722
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CR19
Peptide_Sequence GWMLDPIAGKWSR
Peptide_Length 13
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1516.78
Aliphatic_Index 67.69231
Aromaticity 0.15385
Average_Rotatable_Bonds 3.53846
Charge_at_pH_7 0.99813
Isoelectric_Point 9.69502
Number_of_Hydrogen_Bond_Acceptors 19
Number_of_Hydrogen_Bond_Donors 21
Topological_Polar_Surface_Area 580.76000
X_logP_energy -2.84263
Interaction Information
Affinity IC50=77 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structure guided design of an antibacterial peptide that targets UDP-N-acetylglucosamine acyltransferase.
Release_Year 2019
PMID 30850651
DOI 10.1038/s41598-019-40418-8