PPIRE01199

Target Protein Information
Protein_Name Alpha/beta hydrolase
Protein_Sequence MSSEPLEPNQDVIIPRSRDSLGRPVYKAQLTRTDNQSEKVALIRQTAPLPVIFIPGIMGTNLRNKADKSEVWRPPNGLWPMDDLFASIGALWTWAWRGPKARQELLKAEQVEVDDQGTIDVGQSGLSEEAARLRGWGKVMRSAYNPVMGLMERRLDNIVSRRELQAWWNDEALSPPGDQGEEQGKVGPIDEEELLRASRYQFDVWCAGYNWLQSNRQSALDVRDYIENTVLPFYQKECGLDPEQMRRMKVILVTHSMGGLVARALTQLHGYERVLGVVHGVQPATGSSTIYHHMRCGYEGIAQVVLGRNAGEVTAIVANSAGALELAPSAEYREGRPWLFLCDAQGQVLKDIDGKPRAYPQNQDPYEEIYKNTTWYGLVPEQNSQYLDMSDKKEGLRVGPRDNFEDLIDSIANFHGELSAAGYHSETYAHYGADDSRHSWRDLIWKGDPTPLETPGATLNDDENGTYNSWFRRGLPTIVQGPLETGNPLDASGSGGDETVPTDSGQAPALAGVKASFRHGSKGKGQANTKRGYEHQESYNDARAQWAALYGVIKITQLADWHPNDKGGT
Organism_Source Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)
Functional_Classification Hydrolases
Cellular_Localization extracellular
Gene_Names None
UniProt_ID Q9I3K2
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name L peptide_A
Peptide_Sequence DDLFASIGALWTWAWRGPKARQELLKA
Peptide_Length 27
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3100.57
Aliphatic_Index 90.74074
Aromaticity 0.14815
Average_Rotatable_Bonds 3.62963
Charge_at_pH_7 1.00006
Isoelectric_Point 9.53242
Number_of_Hydrogen_Bond_Acceptors 38
Number_of_Hydrogen_Bond_Donors 44
Topological_Polar_Surface_Area 1229.79000
X_logP_energy -7.24586
Interaction Information
Affinity KD=0.125 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 5H7Y
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structure-Based Prototype Peptides Targeting the Pseudomonas aeruginosa Type VI Secretion System Effector as a Novel Antibacterial Strategy.
Release_Year 2017
PMID 28979890
DOI 10.3389/fcimb.2017.00411