PPIRE12049

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 peptide 920
Peptide_Sequence SSGWMLDPIAGKWSR
Peptide_Length 15
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)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 1690.94
Aliphatic_Index 58.66667
Aromaticity 0.13333
Average_Rotatable_Bonds 3.46667
Charge_at_pH_7 0.99813
Isoelectric_Point 9.69502
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 25
Topological_Polar_Surface_Area 679.42000
X_logP_energy -5.88843
Interaction Information
Affinity IC50=600 nM
Affinity_Assay Fluorescence Polarization
PDB_ID 2AQ9
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title A high-throughput-compatible fluorescence anisotropy-based assay for competitive inhibitors of Escherichia coli UDP-N-acetylglucosamine acyltransferase (LpxA).
Release_Year 2012
PMID 23015018
DOI 10.1177/1087057112462062