TPDB

3D PDB MODEL

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TPDB ID TPDB47814

Peptide_Name

ACE inhibitor from thornback ray muscle (Raja clavata)

Activity

ACE inhibitors Antihypertensive

Activity_category_statistics

Cardiometabolic peptides

Database_Source

Peptipedia AHTPDB AHTpin

Sequence_Type

standard

Has_Modification No

Description A 5-aa standard natural multi-activity (ACE inhibitors and Antihypertensive) peptide sequence curated from Peptipedia, AHTPDB, and AHTpin, with an available 3D structural model.

Sequence

IYEGY

FASTA

>TPDB47814|ACE inhibitors;Antihypertensive|length=5
IYEGY

Formula C31H41N5O10

Absent Amino Acids ARNDCQHLKMFPSTWV

Common Amino Acids Y

Mass 643.69

PI 3.29

Basic Residues 0

Acidic Residues 1

Hydrophobic Residues 3

Net Charge -1

Boman Index -0.16

Hydrophobicity -0.400

Aliphatic Index 78.00

Half Life

Mammalian: 20 hour Yeast: 30 min E.coli: >10 hour

Extinction Coefficient Cystines 2980

Absorbance 280nm 462.95

Polar Residues 2

number

0

A

0

R

0

N

0

D

0

C

1

E

0

Q

1

G

0

H

1

I

0

L

0

K

0

M

0

F

0

P

0

S

0

T

0

W

2

Y

0

V

Amino Acid Distribution

A: 0 R: 0 N: 0 D: 0 C: 0 E: 1 Q: 0 G: 1 H: 0 I: 1 L: 0 K: 0 M: 0 F: 0 P: 0 S: 0 T: 0 W: 0 Y: 2 V: 0

Length

5

Formula

C31H41N5O10

Mass

643.69

PI

3.29

Net Charge

-1

Boman Index

-0.16

Hydrophobicity

-0.400

Chemical_Mass

643.6831

Monoisotopic_Mass

643.2843

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 79.42 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 Lassoued I., Mora L., Barkia, Aristoy M.-C., Nasri M., Toldra F.

Title

Angiotensin I-converting enzyme inhibitory peptides FQPSF and LKYPI identified in Bacillus subtilis A26 hydrolysate of thornback ray muscle. Int. J. Food Sci. Technol., 51, 1604-1609, 2016

Year 2016

Literature Source Journal

Other

Number of Residues 5

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@](C)(CC)[C@]([H])(N)C(=O)N[C@@]([H])(CC1=CC=C(O)C=C1)C(=O)N[C@@]([H])(CCC(O)=O)C(=O)NCC(=O)N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C31H41N5O10/c1-3-17(2)27(32)30(44)36-23(14-18-4-8-20(37)9-5-18)29(43)35-22(12-13-26(40)41)28(42)33-16-25(39)34-24(31(45)46)15-19-6-10-21(38)11-7-19/h4-11,17,22-24,27,37-38H,3,12-16,32H2,1-2H3,(H,33,42)(H,34,39)(H,35,43)(H,36,44)(H,40,41)(H,45,46)/t17-,22-,23-,24-,27-/m0/s1 InChIKey=ICKQUTFISFAZGD-ISVXYFABSA-N

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 79.42 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 Lassoued I., Mora L., Barkia, Aristoy M.-C., Nasri M., Toldra F.

Title

Angiotensin I-converting enzyme inhibitory peptides FQPSF and LKYPI identified in Bacillus subtilis A26 hydrolysate of thornback ray muscle. Int. J. Food Sci. Technol., 51, 1604-1609, 2016

Year 2016

Literature Source Journal

Other

Source Activity Label	Source Definition
Antihypertensive	AHTPDB manually curated experimentally validated antihypertensive peptide annotation.

Number of Residues 5

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@](C)(CC)[C@]([H])(N)C(=O)N[C@@]([H])(CC1=CC=C(O)C=C1)C(=O)N[C@@]([H])(CCC(O)=O)C(=O)NCC(=O)N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C31H41N5O10/c1-3-17(2)27(32)30(44)36-23(14-18-4-8-20(37)9-5-18)29(43)35-22(12-13-26(40)41)28(42)33-16-25(39)34-24(31(45)46)15-19-6-10-21(38)11-7-19/h4-11,17,22-24,27,37-38H,3,12-16,32H2,1-2H3,(H,33,42)(H,34,39)(H,35,43)(H,36,44)(H,40,41)(H,45,46)/t17-,22-,23-,24-,27-/m0/s1 InChIKey=ICKQUTFISFAZGD-ISVXYFABSA-N

Number_of_Residues

5