TPDB

3D PDB MODEL

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TPDB ID TPDB47728

Peptide_Name

ACE inhibitor

Activity

Antihypertensive

Activity_category_statistics

Cardiometabolic peptides

Database_Source

AHTPDB AHTpin Peptipedia

Sequence_Type

standard

Has_Modification No

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

Sequence

VRF

FASTA

>TPDB47728|Antihypertensive|length=3
VRF

Formula C20H32N6O4

Absent Amino Acids ANDCEQGHILKMPSTWY

Common Amino Acids RFV

Mass 420.51

PI 11.05

Basic Residues 1

Acidic Residues 0

Hydrophobic Residues 2

Net Charge +1

Boman Index -0.25

Hydrophobicity 0.833

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

1

R

0

N

0

D

0

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

1

V

Amino Acid Distribution

A: 0 R: 1 N: 0 D: 0 C: 0 E: 0 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

C20H32N6O4

Mass

420.51

PI

11.05

Net Charge

+1

Boman Index

-0.25

Hydrophobicity

0.833

Chemical_Mass

420.5046

Monoisotopic_Mass

420.2478

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 5.00 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])(CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O InChI=1S/C20H32N6O4/c1-12(2)16(21)18(28)25-14(9-6-10-24-20(22)23)17(27)26-15(19(29)30)11-13-7-4-3-5-8-13/h3-5,7-8,12,14-16H,6,9-11,21H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)(H4,22,23,24)/t14-,15-,16-/m0/s1 InChIKey=IVXJODPZRWHCCR-JYJNAYRXSA-N Activator of Angiotensin 2-converting enzyme (ACE2) (EC 3.4.17.23) (MEROPS ID: M02.006) according to the BIOPEP-UWM database of bioactive peptides

Number_of_Residues

3