PPIPT02239

Target Protein Information
Protein_Name Cutinase
Protein_Sequence MMNLNLLLSKPCQASTTRNELETGSSDACPRTIFIFARGSTEAGNMGALVGPFTANALESAYGASNVWVQGVGGPYTAGLVENALPAGTSQAAIREAQRLFNLAASKCPNTPITAGGYSQGAAVMSNAIPGLSAAVQDQIKGVVLFGYTKNLQNGGRIPNFPTSKTTIYCETGDLVCNGTLIITPAHLLYSDEAAVQAPTFLRAQIDSA
Organism_Source Alternaria brassicicola
Functional_Classification Hydrolase (cutinase)
Cellular_Localization Extracellular
Gene_Names CUTAB1
UniProt_ID P41744
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name SbDef1
Peptide_Sequence CTMRNKFFHGPCMSNKNCAASCIQHRIGGGGYCSSRRQICKCTLQC
Peptide_Length 46
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)CC
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 5100.99
Aliphatic_Index 38.26087
Aromaticity 0.06522
Average_Rotatable_Bonds 3.71739
Charge_at_pH_7 6.68226
Isoelectric_point 9.02248
Number_of_Hydrogen_Bond_Acceptors 79
Number_of_Hydrogen_Bond_Donors 84
Topological_Polar_Surface_Area 2147.20000
X_logP_energy -29.99482
Interaction Information
Affinity IC50=2 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Patent
Title ANTIMICROBIAL PEPTIDES
Release_Year 2022
Patent_ID US20220081475A1