PPIRE11569

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 CR21
Peptide_Sequence SSGWMLDPIAGKWS
Peptide_Length 14
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)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)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)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 1534.75
Aliphatic_Index 62.85714
Aromaticity 0.14286
Average_Rotatable_Bonds 3.28571
Charge_at_pH_7 -0.00186
Isoelectric_Point 6.33737
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 21
Topological_Polar_Surface_Area 588.42000
X_logP_energy -4.63650
Interaction Information
Affinity IC50=12 uM
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