TPDB

3D PDB MODEL

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TPDB ID TPDB47585

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors Antihypertensive Bitter

Activity_category_statistics

Cardiometabolic peptides Food sensory peptides

Database_Source

Peptipedia AHTPDB AHTpin Tastepeptides-Meta

Sequence_Type

standard

Has_Modification No

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

Sequence

DM

FASTA

>TPDB47585|ACE inhibitors;Antihypertensive;Bitter|length=2
DM

Formula C9H16N2O5S1

Absent Amino Acids ARNCEQGHILKFPSTWYV

Common Amino Acids DM

Mass 264.30

PI 3.10

Basic Residues 0

Acidic Residues 1

Hydrophobic Residues 1

Net Charge -1

Boman Index 1.00

Hydrophobicity -0.800

Aliphatic Index 0.00

Half Life

Mammalian: 1.1 hour Yeast: 3 min E.coli: >10 hour

Extinction Coefficient Cystines 0

Absorbance 280nm 0.00

Polar Residues 0

number

0

A

0

R

0

N

1

D

0

C

0

E

0

Q

0

G

0

H

0

I

0

L

0

K

1

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

Length

2

Formula

C9H16N2O5S1

Mass

264.30

PI

3.10

Net Charge

-1

Boman Index

1.00

Hydrophobicity

-0.800

Chemical_Mass

264.2992

Monoisotopic_Mass

264.0776

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 602.60 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 Wu J., Aluko R. E., Nakai S.

Title

Structural requirements of angiotensin I-converting enzyme inhibitory activity: quantitative structure-activity relationship study of di- and tripeptides. J. Agric. Food Chem., 54, 732-738, 2006

Year 2006

Literature Source Journal

Other

Number of Residues 2

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCSC)C(=O)O InChI=1S/C9H16N2O5S/c1-17-3-2-6(9(15)16)11-8(14)5(10)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1 InChIKey: DYDKXJWQCIVTMR-WDSKDSINSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001 Predicted as bitterness suppressing peptide according to the BIOPEP-UWM Virtual database (ID 138)

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 602.60 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 Wu J., Aluko R. E., Nakai S.

Title

Structural requirements of angiotensin I-converting enzyme inhibitory activity: quantitative structure-activity relationship study of di- and tripeptides. J. Agric. Food Chem., 54, 732-738, 2006

Year 2006

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])(CC(=O)O)C(=O)N[C@@]([H])(CCSC)C(=O)O InChI=1S/C9H16N2O5S/c1-17-3-2-6(9(15)16)11-8(14)5(10)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1 InChIKey: DYDKXJWQCIVTMR-WDSKDSINSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001 Predicted as bitterness suppressing peptide according to the BIOPEP-UWM Virtual database (ID 138)

Number_of_Residues

2