TPDB

3D PDB MODEL

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

TPDB ID TPDB39623

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors Toxicity

Activity_category_statistics

Cardiometabolic peptides Toxicity and safety peptides

Database_Source

Peptipedia ToxinPred 3.0

Sequence_Type

standard

Has_Modification No

Description A 4-aa standard natural multi-activity (ACE inhibitors and Toxicity) peptide sequence curated from Peptipedia and ToxinPred 3.0, with an available 3D structural model.

Sequence

LVLL

FASTA

>TPDB39623|ACE inhibitors;Toxicity|length=4
LVLL

Formula C23H44N4O5

Absent Amino Acids ARNDCEQGHIKMFPSTWY

Common Amino Acids L

Mass 456.63

PI 6.02

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 4

Net Charge -0

Boman Index -1.61

Hydrophobicity 3.900

Aliphatic Index 365.00

Half Life

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

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

0

G

0

H

0

I

3

L

0

K

0

M

0

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: 0 Q: 0 G: 0 H: 0 I: 0 L: 3 K: 0 M: 0 F: 0 P: 0 S: 0 T: 0 W: 0 Y: 0 V: 1

Length

4

Formula

C23H44N4O5

Mass

456.63

PI

6.02

Net Charge

-0

Boman Index

-1.61

Hydrophobicity

3.900

Chemical_Mass

456.6175

Monoisotopic_Mass

456.3301

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 720.00 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 NA

Authors Xu Z., Wu C., Sun-Waterhouse D., Zhao T., Waterhouse G. I. N., Zhao M., Su G.

Title

Identification of post-digestion angiotensin-I converting enzyme (ACE) inhibitory peptides from soybean protein Isolate: Their production conditions and in silico molecular docking with ACE. Food Chem., 345, 128855, 2021

Year 2021

Literature Source Journal

Other

Number of Residues 4

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)O InChI=1S/C23H44N4O5/c1-12(2)9-16(24)20(28)27-19(15(7)8)22(30)25-17(10-13(3)4)21(29)26-18(23(31)32)11-14(5)6/h12-19H,9-11,24H2,1-8H3,(H,25,30)(H,26,29)(H,27,28)(H,31,32)/t16-,17-,18-,19-/m0/s1 InChIKey=IQDIHZVPXBLFRU-VJANTYMQSA-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

4