TPDB

3D PDB MODEL

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TPDB ID TPDB01197

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors Antihypertensive Antioxidant

Activity_category_statistics

Cardiometabolic peptides Functional / health-promoting peptides

Database_Source

Peptipedia AHTPDB AnOxPePred - 1.0 AODB Multi-AOP

Sequence_Type

standard

Has_Modification No

Description A 3-aa standard natural multi-activity (ACE inhibitors, Antihypertensive, and Antioxidant) peptide sequence curated from Peptipedia, AHTPDB, AnOxPePred - 1.0, and other sources, with an available 3D structural model.

Sequence

LWA

FASTA

>TPDB01197|ACE inhibitors;Antihypertensive;Antioxidant|length=3
LWA

Formula C20H28N4O4

Absent Amino Acids RNDCEQGHIKMFPSTYV

Common Amino Acids ALW

Mass 388.47

PI 6.02

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 3

Net Charge -0

Boman Index -2.58

Hydrophobicity 1.567

Aliphatic Index 163.33

Half Life

Mammalian: 5.5 hour Yeast: 3 min E.coli: 2 min

Extinction Coefficient Cystines 5500

Absorbance 280nm 1415.82

Polar Residues 0

number

1

A

0

R

0

N

0

D

0

C

0

E

0

Q

0

G

0

H

0

I

1

L

0

K

0

M

0

F

0

P

0

S

0

T

1

W

0

Y

0

V

Amino Acid Distribution

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

Length

3

Formula

C20H28N4O4

Mass

388.47

PI

6.02

Net Charge

-0

Boman Index

-2.58

Hydrophobicity

1.567

Chemical_Mass

388.4596

Monoisotopic_Mass

388.2104

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 12.59 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 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C)C(=O)O InChI=1S/C20H28N4O4/c1-11(2)8-15(21)18(25)24-17(19(26)23-12(3)20(27)28)9-13-10-22-16-7-5-4-6-14(13)16/h4-7,10-12,15,17,22H,8-9,21H2,1-3H3,(H,23,26)(H,24,25)(H,27,28)/t12-,15-,17-/m0/s1 InChIKey: CNWDWAMPKVYJJB-NUTKFTJISA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 12.59 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 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C)C(=O)O InChI=1S/C20H28N4O4/c1-11(2)8-15(21)18(25)24-17(19(26)23-12(3)20(27)28)9-13-10-22-16-7-5-4-6-14(13)16/h4-7,10-12,15,17,22H,8-9,21H2,1-3H3,(H,23,26)(H,24,25)(H,27,28)/t12-,15-,17-/m0/s1 InChIKey: CNWDWAMPKVYJJB-NUTKFTJISA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001

Number_of_Residues

3