TPDB

3D PDB MODEL

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TPDB ID TPDB00852

Peptide_Name

ACE inhibitor Anti-inflammatory peptide Hypotensive peptide

Activity

ACE inhibitors Anti-inflammatory Antihypertensive Antioxidant

Activity_category_statistics

Cardiometabolic peptides Immunity and inflammation peptides Functional / health-promoting peptides

Database_Source

Peptipedia AHTPDB AHTpin AnOxPePred - 1.0 AODB Multi-AOP

Sequence_Type

standard

Has_Modification No

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

Sequence

IRW

FASTA

>TPDB00852|ACE inhibitors;Anti-inflammatory;Antihypertensive;Antioxidant|length=3
IRW

Formula C23H35N7O4

Absent Amino Acids ANDCEQGHLKMFPSTYV

Common Amino Acids RIW

Mass 473.58

PI 11.05

Basic Residues 1

Acidic Residues 0

Hydrophobic Residues 2

Net Charge +1

Boman Index -1.35

Hydrophobicity -0.300

Aliphatic Index 130.00

Half Life

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

Extinction Coefficient Cystines 5500

Absorbance 280nm 1161.38

Polar Residues 0

number

0

A

1

R

0

N

0

D

0

C

0

E

0

Q

0

G

0

H

1

I

0

L

0

K

0

M

0

F

0

P

0

S

0

T

1

W

0

Y

0

V

Amino Acid Distribution

A: 0 R: 1 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: 0 W: 1 Y: 0 V: 0

Length

3

Formula

C23H35N7O4

Mass

473.58

PI

11.05

Net Charge

+1

Boman Index

-1.35

Hydrophobicity

-0.300

Chemical_Mass

473.5671

Monoisotopic_Mass

473.2743

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 0.61 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 Majumder K., Wu J.

Title

Purification and characterisation of angiotensin I converting enzyme (ACE) inhibitory peptides derived from enzymatic hydrolysate of ovotransferrin. Food Chem., 126, 1614-1619, 2011

Year 2011

Literature Source Journal

Other

Number of Residues 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=C[N]([H])C2=CC=CC=C12)C(=O)O InChI=1S/C23H35N7O4/c1-3-13(2)19(24)21(32)29-17(9-6-10-27-23(25)26)20(31)30-18(22(33)34)11-14-12-28-16-8-5-4-7-15(14)16/h4-5,7-8,12-13,17-19,28H,3,6,9-11,24H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)(H4,25,26,27)/t13-,17-,18-,19-/m0/s1 InChIKey=ZXJFURYTPZMUNY-VKOGCVSHSA-N Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 8213) Hypotensive peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9875) Anti-inflammatory peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9876) Activator of Angiotensin 2-converting enzyme (EC 3.4.17.23) (MEROPS ID: M02.006) according to the BIOPEP-UWM database of bioactive peptides (ID 9877) the EROP-Moscow database

Evidence 2 Activity

Activity

Activity Endpoint EC50

Detail Source Activity Anti-inflammatory

Activity Measurement 0.00 µM

Function Anti-inflammatory peptide

Detail Activity anti inflammatory

Activity Code ai

Source & Reference

Database Source NA

Authors Majumder K., Chakrabarti S., Morton J. S., Panahi S., Kaufman S., Davidge S. T., Wu J.

Title

Egg-derived tri-peptide IRW exerts antihypertensive effects in spontaneously hypertensive rats. PLoS ONE, 8, e82829, 2013

Year 2013

Literature Source Journal

Other

Number of Residues 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=C[N]([H])C2=CC=CC=C12)C(=O)O InChI=1S/C23H35N7O4/c1-3-13(2)19(24)21(32)29-17(9-6-10-27-23(25)26)20(31)30-18(22(33)34)11-14-12-28-16-8-5-4-7-15(14)16/h4-5,7-8,12-13,17-19,28H,3,6,9-11,24H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)(H4,25,26,27)/t13-,17-,18-,19-/m0/s1 InChIKey=ZXJFURYTPZMUNY-VKOGCVSHSA-N Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database the BIOPEP-UWM database of bioactive peptides (ID 9874) the EROP-Moscow database Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 8213) Hypotensive peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9875) Activator of Angiotensin 2-converting enzyme (EC 3.4.17.23) (MEROPS ID: M02.006) according to the EROP-Moscow database (ID 9877)

Evidence 3 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 0.61 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 Majumder K., Wu J.

Title

Purification and characterisation of angiotensin I converting enzyme (ACE) inhibitory peptides derived from enzymatic hydrolysate of ovotransferrin. Food Chem., 126, 1614-1619, 2011

Year 2011

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@H](CC)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=C[N]([H])C2=CC=CC=C12)C(=O)O InChI=1S/C23H35N7O4/c1-3-13(2)19(24)21(32)29-17(9-6-10-27-23(25)26)20(31)30-18(22(33)34)11-14-12-28-16-8-5-4-7-15(14)16/h4-5,7-8,12-13,17-19,28H,3,6,9-11,24H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)(H4,25,26,27)/t13-,17-,18-,19-/m0/s1 InChIKey=ZXJFURYTPZMUNY-VKOGCVSHSA-N Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 8213) Hypotensive peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9875) Anti-inflammatory peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9876) Activator of Angiotensin 2-converting enzyme (EC 3.4.17.23) (MEROPS ID: M02.006) according to the BIOPEP-UWM database of bioactive peptides (ID 9877) the EROP-Moscow database

Evidence 4 Activity

Activity

Activity Endpoint EC50

Detail Source Activity Antihypertensive

Activity Measurement 0.00 µM

Function Lowering blood pressure in rats

Detail Activity hypotensive

Activity Code hyp

Source & Reference

Database Source AHTPDB

Authors Majumder K., Chakrabarti S., Morton J. S., Panahi S., Kaufman S., Davidge S. T., Wu J.

Title

Egg-derived tri-peptide IRW exerts antihypertensive effects in spontaneously hypertensive rats. PLoS ONE, 8, e82829, 2013

Year 2013

Literature Source Journal

Other

Number of Residues 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=C[N]([H])C2=CC=CC=C12)C(=O)O InChI=1S/C23H35N7O4/c1-3-13(2)19(24)21(32)29-17(9-6-10-27-23(25)26)20(31)30-18(22(33)34)11-14-12-28-16-8-5-4-7-15(14)16/h4-5,7-8,12-13,17-19,28H,3,6,9-11,24H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)(H4,25,26,27)/t13-,17-,18-,19-/m0/s1 InChIKey=ZXJFURYTPZMUNY-VKOGCVSHSA-N Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database the BIOPEP-UWM database of bioactive peptides (ID 9874) the EROP-Moscow database Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 8213) Anti-inflammatory peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9876) Activator of Angiotensin 2-converting enzyme (EC 3.4.17.23) (MEROPS ID: M02.006) according to the EROP-Moscow database (ID 9877)

Evidence 5 Activity

Activity

Main Bioactivity Antioxidative activity

Detail Source Activity Antioxidant

Source & Reference

Database Source AODB

Source DFBP

Number_of_Residues

3