TPDB

3D PDB MODEL

Drag to rotate. Click a residue or atom to inspect it; the selected residue is highlighted in amber.

TPDB ID TPDB20519

Peptide_Name

ACE inhibitor dipeptidyl peptidase IV inhibitor (DPP IV inhibitor)

Activity

ACE inhibitors Antibacterial Anticancer Antihypertensive Bitter iDPPIV

Activity_category_statistics

Anti-infective peptides Cardiometabolic peptides Cancer-related peptides Food sensory peptides

Database_Source

Peptipedia AHTPDB AHTpin Tastepeptides-Meta 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, AHTPDB, AHTpin, and other sources, with an available 3D structural model.

Sequence

GL

FASTA

>TPDB20519|ACE inhibitors;Antibacterial;Anticancer;Antihypertensive;Bitter;iDPPIV|length=2
GL

Formula C8H16N2O3

Absent Amino Acids ARNDCEQHIKMFPSTWYV

Common Amino Acids GL

Mass 188.23

PI 6.02

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 1

Net Charge -0

Boman Index -0.55

Hydrophobicity 1.700

Aliphatic Index 195.00

Half Life

Mammalian: 30 hour Yeast: >20 hour E.coli: >10 hour

Extinction Coefficient Cystines 0

Absorbance 280nm 0.00

Polar Residues 0

number

0

A

0

R

0

N

0

D

0

C

0

E

0

Q

1

G

0

H

0

I

1

L

0

K

0

M

0

F

0

P

0

S

0

T

0

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

Length

2

Formula

C8H16N2O3

Mass

188.23

PI

6.02

Net Charge

-0

Boman Index

-0.55

Hydrophobicity

1.700

Chemical_Mass

188.2236

Monoisotopic_Mass

188.1157

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 2500.00 µM

Function Inhibitor of Angiotensin-converting enzyme (EC 3.4.15.1) (MEROPS ID: XM02-001)

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

Year 1980

Literature Source Journal

Other

Number of Residues 2

Additional Info

BIOPEP database of bioactive peptides SMILES: NCC(=O)N[C@H](C(=O)O)CC(C)C InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1 InChIKey: DKEXFJVMVGETOO-LURJTMIESA-N Inhibitor of Alkaline phosphatase (EC 3.1.3.1) according to BRENDA database Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to BIOPEP database of bioactive peptides EROP-Moscow database Inhibitor of Cytosol nonspecific dipeptidase (EC 3.4.13.18) (MEROPS ID: M20.005) according to BRENDA database Inhibitor of citrulline uptake in yeasts according to ChEMBL database PubChem database Bitter peptide according to BIOPEP database of bioactive peptides BitterDB database ChEMBL database EROP-Moscow database

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 2500.00 µM

Function Inhibitor of Angiotensin-converting enzyme (EC 3.4.15.1) (MEROPS ID: XM02-001)

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

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 database of bioactive peptides SMILES: NCC(=O)N[C@H](C(=O)O)CC(C)C InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1 InChIKey: DKEXFJVMVGETOO-LURJTMIESA-N Inhibitor of Alkaline phosphatase (EC 3.1.3.1) according to BRENDA database Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to BIOPEP database of bioactive peptides EROP-Moscow database Inhibitor of Cytosol nonspecific dipeptidase (EC 3.4.13.18) (MEROPS ID: M20.005) according to BRENDA database Inhibitor of citrulline uptake in yeasts according to ChEMBL database PubChem database Bitter peptide according to BIOPEP database of bioactive peptides BitterDB database ChEMBL database EROP-Moscow database

Evidence 3 Activity

Activity

Activity Endpoint IC50

Detail Source Activity iDPPIV

Activity Measurement 2615.03 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 Inhibition of dipeptidyl peptidase IV and xanthine oxidase by amino acids and dipeptides. Food Chemistry, 141, 644-653.

Year 2013

Literature Source Journal

Other

Number of Residues 2

Additional Info

BIOPEP database of bioactive peptides SMILES: NCC(=O)N[C@H](C(=O)O)CC(C)C InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1 InChIKey: DKEXFJVMVGETOO-LURJTMIESA-N Inhibitor of Alkaline phosphatase (EC 3.1.3.1) according to BRENDA database Inhibitor of Angiotensin-converting enzyme (EC 3.4.15.1) (MEROPS ID: XM02-001) according to AHTPDB database BindingDB database BIOPEP database of bioactive peptides ChEMBL database EROP-Moscow database Inhibitor of Cytosol nonspecific dipeptidase (EC 3.4.13.18) (MEROPS ID: M20.005) according to BRENDA database Inhibitor of citrulline uptake in yeasts according to ChEMBL database PubChem database Bitter peptide according to BIOPEP database of bioactive peptides BitterDB database ChEMBL database EROP-Moscow database

Number_of_Residues

2