TPDB

3D PDB MODEL

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TPDB ID TPDB02061

Peptide_Name

ACE inhibitor dipeptidyl peptidase IV inhibitor (DPP IV inhibitor) Renin inhibitor

Activity

ACE inhibitors Antibacterial Anticancer Antifungal Antihypertensive Antioxidant iDPPIV

Activity_category_statistics

Anti-infective peptides Cardiometabolic peptides Cancer-related peptides Functional / health-promoting peptides

Database_Source

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

Sequence_Type

standard

Has_Modification No

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

Sequence

WG

FASTA

>TPDB02061|ACE inhibitors;Antibacterial;Anticancer;Antifungal;Antihypertensive;Antioxidant;iDPPIV|length=2
WG

Formula C13H15N3O3

Absent Amino Acids ARNDCEQHILKMFPSTYV

Common Amino Acids GW

Mass 261.28

PI 6.02

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 1

Net Charge -0

Boman Index -1.84

Hydrophobicity -0.650

Aliphatic Index 0.00

Half Life

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

Extinction Coefficient Cystines 5500

Absorbance 280nm 2105.02

Polar Residues 0

number

0

A

0

R

0

N

0

D

0

C

0

E

0

Q

1

G

0

H

0

I

0

L

0

K

0

M

0

F

0

P

0

S

0

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: 1 H: 0 I: 0 L: 0 K: 0 M: 0 F: 0 P: 0 S: 0 T: 0 W: 1 Y: 0 V: 0

Length

2

Formula

C13H15N3O3

Mass

261.28

PI

6.02

Net Charge

-0

Boman Index

-1.84

Hydrophobicity

-0.650

Chemical_Mass

261.2759

Monoisotopic_Mass

261.1110

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 5900.00 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 NA

Authors Cheung H.-S., Wang F.-L., Ondetti M. A., Sabo E. F., Cushman D. W.

Title Binding of peptide substrates and inhibitors of angiotensin-converting enzyme. J. Biol. Chem., 255, 401-407, 1980

Year 1980

Literature Source Journal

Other

Number of Residues 2

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC(=O)O InChI=1S/C13H15N3O3/c14-10(13(19)16-7-12(17)18)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15H,5,7,14H2,(H,16,19)(H,17,18)/t10-/m0/s1 InChIKey: UYKREHOKELZSPB-JTQLQIEISA-N Another value of EC50 = 729.4 µM Torkova A., Kononikhin A., Bugrova A., Khotchenkov V., Tsentalovich M., Medvedeva U., 2016, Effect of in vitro gastrointestinal digestion on bioactivity of poultry protein hydrolysate. Curr. Res. Nutr. Food Sci., 4 (SI 2), 77-86 Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8697) Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9082)

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 5900.00 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 Cheung H.-S., Wang F.-L., Ondetti M. A., Sabo E. F., Cushman D. W.

Title Binding of peptide substrates and inhibitors of angiotensin-converting enzyme. J. Biol. Chem., 255, 401-407, 1980

Year 1980

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](Cc1c[nH]c2c1cccc2)C(=O)NCC(=O)O InChI=1S/C13H15N3O3/c14-10(13(19)16-7-12(17)18)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15H,5,7,14H2,(H,16,19)(H,17,18)/t10-/m0/s1 InChIKey: UYKREHOKELZSPB-JTQLQIEISA-N Another value of EC50 = 729.4 µM Torkova A., Kononikhin A., Bugrova A., Khotchenkov V., Tsentalovich M., Medvedeva U., 2016, Effect of in vitro gastrointestinal digestion on bioactivity of poultry protein hydrolysate. Curr. Res. Nutr. Food Sci., 4 (SI 2), 77-86 Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8697) Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9082)

Evidence 3 Activity

Activity

Activity Endpoint EC50

Detail Source Activity Antihypertensive

Activity Measurement 0.00 µM

Function Inhibitor of Renin (EC 3.4.23.15) (MEROPS ID: A01.007)

Detail Activity renin inhibitor

Activity Code ren

Source & Reference

Database Source AHTPDB

Authors Fu Y., Alashi A. M., Young J. F., Therkildsen M., Aluko R. E.

Title

Enzyme inhibition kinetics and molecular interactions of patatin peptides with angiotensin I-converting enzyme and renin. Int. J. Biol. Macromol., 101, 207-213, 2017

Year 2017

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)NCC(=O)O InChI=1S/C13H15N3O3/c14-10(13(19)16-7-12(17)18)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15H,5,7,14H2,(H,16,19)(H,17,18)/t10-/m0/s1 InChIKey=UYKREHOKELZSPB-JTQLQIEISA-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 (ID 3536) the BRENDA database 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 8697) Antioxidant peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9082)

Evidence 4 Activity

Activity

Main Bioactivity Antioxidative activity

Detail Source Activity Antioxidant

Source & Reference

Database Source AODB

Source DFBP

Evidence 5 Activity

Activity

Activity Endpoint IC50

Detail Source Activity iDPPIV

Activity Measurement 0.00 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-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](Cc1c[nH]c2c1cccc2)C(=O)NCC(=O)O InChI=1S/C13H15N3O3/c14-10(13(19)16-7-12(17)18)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15H,5,7,14H2,(H,16,19)(H,17,18)/t10-/m0/s1 InChIKey: UYKREHOKELZSPB-JTQLQIEISA-N Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database the BindingDB database the BIOPEP-UWM database of bioactive peptides (ID 7613) the EROP-Moscow database Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9082)

Number_of_Residues

2