TPDB

3D PDB MODEL

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TPDB ID TPDB61144

Peptide_Name

PepH3-vCPP2319

Activity

Cell-penetrating Peptides

Activity_category_statistics

Delivery and barrier-penetrating peptides

Database_Source

CPPsite3.0

Sequence_Type

modified_plain

Has_Modification Yes

Description A 28-aa modified cell-penetrating peptides peptide sequence curated from CPPsite3.0, with an available 3D structural model.

Modification

C-terminal: Amidation Chemical: X = Aminohexanoic acid

Sequence

AGILKRWXWRRRYRRWRRRRRQRRRPRR-NH2

FASTA

>TPDB61144|Cell-penetrating Peptides|length=28
AGILKRWXWRRRYRRWRRRRRQRRRPRR-NH2

Formula C171H290N80O30

Absent Amino Acids NDCEHMFSTV

Common Amino Acids R

Mass 3946.70

PI 13.25

Basic Residues 17

Acidic Residues 0

Hydrophobic Residues 7

Net Charge +17

Boman Index 7.46

Hydrophobicity -2.689

Aliphatic Index 31.43

Half Life

Mammalian: 4.4 hour Yeast: >20 hour E.coli: >10 hour

Extinction Coefficient Cystines 17990

Absorbance 280nm 455.82

Polar Residues 2

number

1

A

16

R

0

N

0

D

0

C

0

E

1

Q

1

G

0

H

1

I

1

L

1

K

0

M

0

F

1

P

0

S

0

T

3

W

1

Y

0

V

Amino Acid Distribution

A: 1 R: 16 N: 0 D: 0 C: 0 E: 0 Q: 1 G: 1 H: 0 I: 1 L: 1 K: 1 M: 0 F: 0 P: 1 S: 0 T: 0 W: 3 Y: 1 V: 0

Length

28

Formula

C171H290N80O30

Mass

3946.70

PI

13.25

Net Charge

+17

Boman Index

7.46

Hydrophobicity

-2.689

C_terminal_Modification

Amidation

Chemical_Modification

X = Aminohexanoic acid

Chirality

Modified

Ionic_State

Cationic

Linearity

Linear

N_terminal_Modification

Free

SMILES

N[C@@H](CCCN=C)C(=O)N[C@@H](CCCN=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)O

Evidence 1 Activity

Activity

Detail Source Activity Cell-penetrating Peptides

Target

Cell Line Hbec-5I Cell Model, Tnbc Cell Line,MDA-MB-231,And Bt-20 Cells.

Assay & Model

In Vitro Model CD1 mice

In Vivo Model CD1 mice

Source & Reference

Database Source CPPsite3.0

Source CPPsite3

Other

Source Activity Label	Source Definition
Cell-penetrating Peptides	CPPsite3.0 experimentally validated cell-penetrating peptide annotation.

CPP Category Natural residues Linear Modified Cationic

Source of Peptide Chimeric

Cargo Type CF-Conjugated

Subcellular Localization Cytoplasm and nucleus

Uptake Mechanism Clathrin mediated endocytosis

In Vitro or In Vivo In vitro and in vivo

DSSP Secondary Structure CCSSSCCCSSCC

Evidence 2 Activity

Activity

Detail Source Activity Cell-penetrating Peptides

Assay & Model

In Vitro Model CD1 mice

In Vivo Model CD1 mice

Source & Reference

Database Source CPPsite3.0

Source CPPsite3

Other

CPP Category Non-natural residues Linear Modified Cationic

Source of Peptide Chimeric

Cargo Type NODA-GA(tBu)₃ conjugated

Subcellular Localization Cytoplasm and nucleus

Uptake Efficiency Uptake for PepH3-vCPP2319 at 5 min is 2-fold higher than for vCPP2319

Uptake Mechanism Clathrin mediated endocytosis

In Vitro or In Vivo In vivo

DSSP_Secondary_Structure

CCSSSCCCSSCC