TPDB

3D PDB MODEL

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TPDB ID TPDB02109

Peptide_Name

ACE inhibitor dipeptidyl peptidase IV inhibitor (DPP IV inhibitor)

Activity

Antibacterial Anticancer Antifungal Antihypertensive Antioxidant Toxicity iDPPIV

Activity_category_statistics

Anti-infective peptides Cardiometabolic peptides Cancer-related peptides Toxicity and safety peptides Functional / health-promoting peptides

Database_Source

Peptipedia CancerPPD 2.0 CAFPdb dbAMP AHTPDB AHTpin AnOxPePred - 1.0 AODB Multi-AOP iDPPIV

Sequence_Type

standard

Has_Modification No

Description A 2-aa standard natural multi-activity (Antibacterial, Anticancer, Antifungal, and other sources) peptide sequence curated from Peptipedia, CancerPPD 2.0, CAFPdb, and other sources, with an available 3D structural model.

Sequence

WY

FASTA

>TPDB02109|Antibacterial;Anticancer;Antifungal;Antihypertensive;Antioxidant;Toxicity;iDPPIV|length=2
WY

Formula C20H21N3O4

Absent Amino Acids ARNDCEQGHILKMFPSTV

Common Amino Acids WY

Mass 367.40

PI 5.94

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 2

Net Charge -0

Boman Index -2.79

Hydrophobicity -1.100

Aliphatic Index 0.00

Half Life

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

Extinction Coefficient Cystines 6990

Absorbance 280nm 1902.54

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

0

T

1

W

1

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: 0 W: 1 Y: 1 V: 0

Length

2

Formula

C20H21N3O4

Mass

367.40

PI

5.94

Net Charge

-0

Boman Index

-2.79

Hydrophobicity

-1.100

Chemical_Mass

367.3976

Monoisotopic_Mass

367.1527

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 113.00 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 Foltz M., van Buren L., Klaffke W., Duchateau G. S. M. J. E.

Title

Modeling of the relationship between dipeptide structure and dipeptide stability permeability and ACE inhibitory activity. J. Food Sci., 74, H234-H251, 2009

Year 2009

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](CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C20H21N3O4/c21-16(10-13-11-22-17-4-2-1-3-15(13)17)19(25)23-18(20(26)27)9-12-5-7-14(24)8-6-12/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)/t16-,18-/m0/s1 InChIKey=TYYLDKGBCJGJGW-WMZOPIPTSA-N Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 7898) the DFBP database the EROP-Moscow database Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8683), the ChEMBL database, the DFBP database

Evidence 2 Activity

Activity

Main Bioactivity Antioxidative activity

Detail Source Activity Antioxidant

Source & Reference

Database Source AODB

Source DFBP

Evidence 3 Activity

Activity

Detail Source Activity Toxicity

Toxicity Type Cytotoxic

Toxicity Raw

- | NA | target cell: Vero cells

Target

Target Cell Vero cells

Source & Reference

Database Source NA

Source Database DBAASP

Reference

Purification, structural elucidation and bioactivity of tryptophan containing diketopiperazines, from Comamonas testosteroni associated with a rhabditid entomopathogenic nematode against major human-pathogenic bacteria. | Peptides | 2014

Evidence 4 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

Molecules. 2020 Aug 12 25(16):3676.

Evidence 5 Activity

Activity

Activity Endpoint IC50

Detail Source Activity iDPPIV

Activity Measurement 281.00 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-derivedpeptides as dipeptidyl peptidase IV (DPP-IV) inhibitors. Peptides 57, 43-51

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](CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C20H21N3O4/c21-16(10-13-11-22-17-4-2-1-3-15(13)17)19(25)23-18(20(26)27)9-12-5-7-14(24)8-6-12/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)/t16-,18-/m0/s1 InChIKey=TYYLDKGBCJGJGW-WMZOPIPTSA-N Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 7898) the DFBP database the EROP-Moscow database 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 DFBP database

Number_of_Residues

2