Peptide Database

Peptide NameLS-PaDBS1R1-2

Function Ontology

Anticancer

Anticancer ▸ Cytotoxic anticancer activity ▸ Cytotoxic

Antimicrobial

Antimicrobial ▸ Antibacterial

Antimicrobial ▸ Antibacterial ▸ Anti-Gram-negative

Antimicrobial ▸ Antibacterial ▸ Anti-Gram-positive

Antimicrobial ▸ Antifungal

Toxicity / Safety ▸ Blood cell toxicity ▸ Hemolysis ▸ Hemolytic

Toxicity / Safety ▸ Cytotoxicity

Toxicity / Safety ▸ Cytotoxicity ▸ Cytotoxic

Venom / Toxin ▸ General toxin ▸ Cytotoxic

Venom / Toxin ▸ General toxin ▸ Cytotoxicity

Standard StatusStandard

Sequence Length19 amino acids

Chemical FormulaC101H179N27O21

DescriptionStandard

        PKILNKILGKILRLAAAFK
    

Molecular Weight2107.67 Da

Isoelectric Point (pI)11.34

Net Charge (pH 7.0)4.95

Net Charge (pH 7.4) 4.89

Charge Density (pH 7.0) 0.2608

GRAVY Index0.59

Hydrophobic Moment 0.79

Boman Index0.14

Instability Index36.70

Aliphatic Index 159.47

Aromaticity 0.0526

Extinction Coeff. Reduced 0.00

Extinction Coeff. Oxidized 0.00

The radar chart summarizes major physicochemical dimensions for quick comparison, while exact numerical values remain listed on the left.

Amino Acid Composition

TPSA 782.20

LogP -2.54

H-bond Donors 28.0

H-bond Acceptors 26.0

Rotatable Bonds 75.0

Heavy Atoms 149.0

Ring Count 2.0

Amide Bonds 19.0

3D PDB MODEL

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2D CHEMICAL STRUCTURE

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RECORD: Rec_0041223 VERIFIED: YES

Provenance & Taxonomy

Organismsynthetic construct [Synthetic]

FamilyPaDBS1R1

Tax ID32630

Structure & Mods

Configlysine-tethered side-chain stapled peptide [Cyclic]

Chiralitynoncanonical stereochemical modification [Modified]

N-TermNone

C-TermAmidation

Other ModsThe Ⓚ (position: 6 and 10) in sequence indicates Nε-o-Ns-Nα-Fmoc-lysine before stapling. Ⓚ (6) and Ⓚ (10) are cross-linked by a (E)-but-2-enyl spacer employing the N-alkylation reaction

Bio-Activity Profile

Function

Cytotoxicity

TargetHuman embryonic kidney HEK293T cells

Activity128 μg/mL

MethodLC90

PaperHu Y, Li H, Qu R, He T, Tang X, Chen W, Li L, Bai H, Li C, Wang W, Fu G, Luo G, Xia X, Zhang J. Lysine Stapling Screening Provides Stable and Low Toxic Cationic Antimicrobial Peptides Combating Multidrug-Resistant Bacteria In Vitro and In Vivo. J Med Chem. 2022 Jan 13;65(1):579-591. PMID34968054 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/34968054/

RECORD: Rec_0067096 VERIFIED: YES

Provenance & Taxonomy

Organismsynthetic construct [Synthetic]

Tax ID32630

Structure & Mods

Configsynthetic linear peptide [Linear]

Chiralitycanonical L-amino-acid peptide [L]

Bio-Activity Profile

Function

Antimicrobial Antibacterial Anti-Gram-positive Anti-Gram-negative

TargetEscherichia coli ATCC 25922

Activity1.5 μM

MethodMIC

RECORD: Rec_0074615 VERIFIED: YES

Provenance & Taxonomy

OrganismPyrobaculum aerophilum [Archaea]

Structure & Mods

Configlinear peptide [Linear]

Chiralitycanonical L-amino-acid peptide [L]

Bio-Activity Profile

Function

Antimicrobial Antibacterial Antifungal Anti-Gram-positive Anti-Gram-negative

TargetEnterococcus faecalis ATCC 29212

Activity50 μM

MethodMIC

RECORD: Rec_0076937 VERIFIED: YES

Provenance & Taxonomy

Organismsynthetic construct [Synthetic]

FamilyPaDBS1R1

Tax ID32630

Structure & Mods

Configlysine-tethered side-chain stapled peptide [Cyclic]

Chiralitynoncanonical stereochemical modification [Modified]

N-TermNone

C-TermAmidation

Other ModsThe Ⓚ (position: 6 and 10) in sequence indicates Nε-o-Ns-Nα-Fmoc-lysine before stapling. Ⓚ (6) and Ⓚ (10) are cross-linked by a (E)-but-2-enyl spacer employing the N-alkylation reaction

Bio-Activity Profile

Function

Antimicrobial Antibacterial

TargetStaphylococcus aureus (MRSA)

Activity4 μg/mL

MethodMIC

PaperHu Y, Li H, Qu R, He T, Tang X, Chen W, Li L, Bai H, Li C, Wang W, Fu G, Luo G, Xia X, Zhang J. Lysine Stapling Screening Provides Stable and Low Toxic Cationic Antimicrobial Peptides Combating Multidrug-Resistant Bacteria In Vitro and In Vivo. J Med Chem. 2022 Jan 13;65(1):579-591. PMID34968054 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/34968054/

RECORD: Rec_0086996 VERIFIED: YES

Provenance & Taxonomy

Organismsynthetic construct [Synthetic]

FamilyPaDBS1R1

Tax ID32630

Structure & Mods

Configlysine-tethered side-chain stapled peptide [Cyclic]

Chiralitynoncanonical stereochemical modification [Modified]

N-TermNone

C-TermAmidation

Other ModsThe Ⓚ (position: 2 and 6) in sequence indicates Nε-o-Ns-Nα-Fmoc-lysine before stapling. Ⓚ (2) and Ⓚ (6) are cross-linked by a (E)-but-2-enyl spacer employing the N-alkylation reaction

Bio-Activity Profile

Function

Antimicrobial Antibacterial

TargetPseudomonas aeruginosa

Activity128 μg/mL

MethodMIC

PaperHu Y, Li H, Qu R, He T, Tang X, Chen W, Li L, Bai H, Li C, Wang W, Fu G, Luo G, Xia X, Zhang J. Lysine Stapling Screening Provides Stable and Low Toxic Cationic Antimicrobial Peptides Combating Multidrug-Resistant Bacteria In Vitro and In Vivo. J Med Chem. 2022 Jan 13;65(1):579-591. PMID34968054 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/34968054/

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