TPDB

3D PDB MODEL

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TPDB ID TPDB26741

Peptide_Name

ACE inhibitor dipeptidyl peptidase IV inhibitor (DPP IV inhibitor)

Activity

Antibacterial Anticancer Antihypertensive Toxicity iDPPIV

Activity_category_statistics

Anti-infective peptides Cardiometabolic peptides Cancer-related peptides Toxicity and safety peptides

Database_Source

Peptipedia AHTPDB AHTpin iDPPIV

Sequence_Type

standard

Has_Modification No

Description A 2-aa standard natural multi-activity (Antibacterial, Anticancer, Antihypertensive, and other sources) peptide sequence curated from Peptipedia, AHTPDB, AHTpin, and other sources, with an available 3D structural model.

Sequence

WT

FASTA

>TPDB26741|Antibacterial;Anticancer;Antihypertensive;Toxicity;iDPPIV|length=2
WT

Formula C15H19N3O4

Absent Amino Acids ARNDCEQGHILKMFPSYV

Common Amino Acids TW

Mass 305.33

PI 6.02

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 1

Net Charge -0

Boman Index -1.71

Hydrophobicity -0.800

Aliphatic Index 0.00

Half Life

Mammalian: 2.8 hour Yeast: 3 min E.coli: 2 min

Extinction Coefficient Cystines 5500

Absorbance 280nm 1801.31

Polar Residues 1

number

0

A

0

R

0

N

0

D

0

C

0

E

0

Q

0

G

0

H

0

I

0

L

0

K

0

M

0

F

0

P

0

S

1

T

1

W

0

Y

0

V

Amino Acid Distribution

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

Length

2

Formula

C15H19N3O4

Mass

305.33

PI

6.02

Net Charge

-0

Boman Index

-1.71

Hydrophobicity

-0.800

Chemical_Mass

305.3283

Monoisotopic_Mass

305.1371

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 632.00 µM

Function Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)

Detail Activity ACE inhibitor

Activity Code ah

Source & Reference

Database Source AHTPDB

Authors Norris R., Casey F., FitzGerald R. J., Shields D., Mooney C.

Title Predictive modelling of angiotensin converting enzyme inhibitory dipeptides. Food Chem., 133, 1349-1354, 2012

Year 2012

Literature Source Journal

Other

Source Activity Label	Source Definition
Antihypertensive	AHTPDB manually curated experimentally validated antihypertensive peptide annotation.

Number of Residues 2

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)O InChI=1S/C15H19N3O4/c1-8(19)13(15(21)22)18-14(20)11(16)6-9-7-17-12-5-3-2-4-10(9)12/h2-5,7-8,11,13,17,19H,6,16H2,1H3,(H,18,20)(H,21,22)/t8-,11+,13+/m1/s1 InChIKey=YBRHKUNWEYBZGT-WLTAIBSBSA-N Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8685)

Evidence 2 Activity

Activity

Activity Endpoint 0% Hemolysis

Detail Source Activity Toxicity

Activity Measurement 1000 µM

Toxicity Type Hemolytic Cytotoxic

Toxicity Raw

0% Hemolysis | 1000 | µM | target cell: Sheep erythrocytes

Target

Target Cell Sheep erythrocytes

Source & Reference

Database Source NA

Source Database DBAASP

Reference

Anti-Quorum-Sensing Activity of Tryptophan-Containing Cyclic Dipeptides. | Mar Drugs | 2022

Evidence 3 Activity

Activity

Activity Endpoint 15% Hemolysis

Detail Source Activity Toxicity

Activity Measurement 10000 µM

Toxicity Type Hemolytic Cytotoxic

Toxicity Raw

15% Hemolysis | 10000 | µM | target cell: Sheep erythrocytes

Target

Target Cell Sheep erythrocytes

Source & Reference

Database Source NA

Source Database DBAASP

Reference

Anti-Quorum-Sensing Activity of Tryptophan-Containing Cyclic Dipeptides. | Mar Drugs | 2022

Evidence 4 Activity

Activity

Activity Endpoint 13% Cytotoxicity

Detail Source Activity Toxicity

Activity Measurement 1000 µM

Toxicity Type Cytotoxic

Toxicity Raw

13% Cytotoxicity | 1000 | µM | target cell: Mouse fibroblasts NIH 3T3

Target

Target Cell Mouse fibroblasts NIH 3T3

Source & Reference

Database Source NA

Source Database DBAASP

Reference

Anti-Quorum-Sensing Activity of Tryptophan-Containing Cyclic Dipeptides. | Mar Drugs | 2022

Evidence 5 Activity

Activity

Detail Source Activity Toxicity

Toxicity Type Hemolytic Cytotoxic

Toxicity Raw

Hemolytic_activity: Not available | Cytotoxicity: Not available

Target

Target Cell erythrocytes

Source & Reference

Database Source NA

Source Database DRAMP

Reference

Mar Drugs. 2022 Jan 19 20(2):90.

Evidence 6 Activity

Activity

Activity Endpoint IC50

Detail Source Activity iDPPIV

Activity Measurement 482.10 µM

Function Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003)

Detail Activity dipeptidyl peptidase IV inhibitor

Activity Code dpp

Source & Reference

Database Source iDPPIV

Authors Nongonierma A. B., Mooney C., Shields D. C., FitzGerald R. J.

Title

In silico approaches to predict the potential of milk protein-derived peptides as dipeptidyl peptidase IV (DPP-IV) inhibitors. Peptides 57, 43-51, 2014

Year 2014

Literature Source Journal

Other

Number of Residues 2

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)O InChI=1S/C15H19N3O4/c1-8(19)13(15(21)22)18-14(20)11(16)6-9-7-17-12-5-3-2-4-10(9)12/h2-5,7-8,11,13,17,19H,6,16H2,1H3,(H,18,20)(H,21,22)/t8-,11+,13+/m1/s1 InChIKey=YBRHKUNWEYBZGT-WLTAIBSBSA-N Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database, the BIOPEP-UWM database of bioactive peptides, the EROP-Moscow database

Number_of_Residues

2