TPDB

3D PDB MODEL

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TPDB ID TPDB47828

Peptide_Name

ACE inhibitor

Activity

Antihypertensive

Activity_category_statistics

Cardiometabolic peptides

Database_Source

AHTPDB Peptipedia

Sequence_Type

standard

Has_Modification No

Description A 3-aa standard natural antihypertensive peptide sequence curated from AHTPDB and Peptipedia, with an available 3D structural model.

Sequence

VEF

FASTA

>TPDB47828|Antihypertensive|length=3
VEF

Formula C19H27N3O6

Absent Amino Acids ARNDCQGHILKMPSTWY

Common Amino Acids EFV

Mass 393.44

PI 3.29

Basic Residues 0

Acidic Residues 1

Hydrophobic Residues 2

Net Charge -1

Boman Index 0.96

Hydrophobicity 1.167

Aliphatic Index 96.67

Half Life

Mammalian: 100 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

1

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

1

V

Amino Acid Distribution

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

Length

3

Formula

C19H27N3O6

Mass

393.44

PI

3.29

Net Charge

-1

Boman Index

0.96

Hydrophobicity

1.167

Chemical_Mass

393.4331

Monoisotopic_Mass

393.1893

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 23.00 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 Qi C., Lin G., Zhang R., Wu W.

Title

Studies on the bioactivities of ACE-inhibitory Peptides with phenylalanine C-terminus Using 3D-QSAR, molecular docking and in vitro evaluation. Mol Inform. 36, 1600157, 2017

Year 2017

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])(C(C)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O InChI=1S/C19H27N3O6/c1-11(2)16(20)18(26)21-13(8-9-15(23)24)17(25)22-14(19(27)28)10-12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)/t13-,14-,16-/m0/s1 InChIKey=FOADDSDHGRFUOC-DZKIICNBSA-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