TPDB

3D PDB MODEL

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TPDB ID TPDB02222

Peptide_Name

ACE inhibitor from beta-CN (60-66)

Activity

ACE inhibitors Anticancer Antihypertensive Antioxidant Bitter Neuropeptide iDPPIV

Activity_category_statistics

Cardiometabolic peptides Cancer-related peptides Neuroactive peptides Food sensory peptides Functional / health-promoting peptides

Database_Source

Peptipedia AHTPDB AHTpin AODB AoXpDb Multi-AOP Tastepeptides-Meta iDPPIV

Sequence_Type

standard

Has_Modification No

Description A 7-aa standard natural multi-activity (ACE inhibitors, Anticancer, Antihypertensive, and other sources) peptide sequence curated from Peptipedia, AHTPDB, AHTpin, and other sources, with an available 3D structural model.

Sequence

YPFPGPI

FASTA

>TPDB02222|ACE inhibitors;Anticancer;Antihypertensive;Antioxidant;Bitter;Neuropeptide;iDPPIV|length=7
YPFPGPI

Formula C41H55N7O9

Absent Amino Acids ARNDCEQHLKMSTWV

Common Amino Acids P

Mass 789.93

PI 5.94

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 3

Net Charge -0

Boman Index -1.02

Hydrophobicity 0.114

Aliphatic Index 55.71

Half Life

Mammalian: 2.8 hour Yeast: 10 min E.coli: 2 min

Extinction Coefficient Cystines 1490

Absorbance 280nm 188.62

Polar Residues 1

number

0

A

0

R

0

N

0

D

0

C

0

E

0

Q

1

G

0

H

1

I

0

L

0

K

0

M

1

F

3

P

0

S

0

T

0

W

1

Y

0

V

Amino Acid Distribution

A: 0 R: 0 N: 0 D: 0 C: 0 E: 0 Q: 0 G: 1 H: 0 I: 1 L: 0 K: 0 M: 0 F: 1 P: 3 S: 0 T: 0 W: 0 Y: 1 V: 0

Length

7

Formula

C41H55N7O9

Mass

789.93

PI

5.94

Net Charge

-0

Boman Index

-1.02

Hydrophobicity

0.114

Chemical_Mass

789.9147

Monoisotopic_Mass

789.4048

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 500.00 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 Meisel H., Walsh D. J., Murray B., FitzGerald R. J.

Title

ACE inhibitory peptides. in: Nutraceutical proteins and peptides in health and disease. Mine Y., Shahidi F. (Eds.), CRC Taylor & Francis Group, Boca Raton, London, New York, 269-315, 2006

Year 2006

Literature Source book

Other

Number of Residues 7

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CC1=CC=C(C=C1)O)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N1[C@@]([H])(CCC1)C(=O)NCC(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)O InChI=1S/C41H55N7O9/c1-3-25(2)35(41(56)57)45-38(53)32-13-7-19-46(32)34(50)24-43-36(51)31-12-8-21-48(31)40(55)30(23-26-10-5-4-6-11-26)44-37(52)33-14-9-20-47(33)39(54)29(42)22-27-15-17-28(49)18-16-27/h4-6,10-11,15-18,25,29-33,35,49H,3,7-9,12-14,19-24,42H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,56,57)/t25-,29-,30-,31-,32-,33-,35-/m0/s1 INChiKey: RKYJTDSQXOMDAD-JKXTZXEVSA-N Opioid agonist according to the BindingDB database the BIOPEP-UWM database of bioactive peptides (ID 3262) the ChEMBL database the EROP-Moscow database the PepBank database the PubChem database Inhibitor of Cathepsin B (EC 3.4.22.1) (MEROPS ID: C01.060) according to the PepBank database (ID 45021) Immunomodulatory peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9281) the MBPDB database Anticancer peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9176) the MBPDB database Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 10050) the MBPDB database Inhibitor of Acetylcholinesterase (EC 3.1.1.7) according to the BIOPEP-UWM database of bioactive peptides (ID 10240) Inhibitor of Butyrylcholinesterase (EC 3.1.1.8) according to the BIOPEP-UWM database of bioactive peptides (ID 10241) Potentially antithrombotic peptide according to the BIOPEP-UWM Virtual database the DFPB database Bitter peptide according to BIOPEP-UWM database of sensory peptides and amino acids (ID 136)

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 500.00 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 Meisel H., Walsh D. J., Murray B., FitzGerald R. J.

Title

ACE inhibitory peptides. in: Nutraceutical proteins and peptides in health and disease. Mine Y., Shahidi F. (Eds.), CRC Taylor & Francis Group, Boca Raton, London, New York, 269-315, 2006

Year 2006

Literature Source book

Other

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

Number of Residues 7

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CC1=CC=C(C=C1)O)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N1[C@@]([H])(CCC1)C(=O)NCC(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)O InChI=1S/C41H55N7O9/c1-3-25(2)35(41(56)57)45-38(53)32-13-7-19-46(32)34(50)24-43-36(51)31-12-8-21-48(31)40(55)30(23-26-10-5-4-6-11-26)44-37(52)33-14-9-20-47(33)39(54)29(42)22-27-15-17-28(49)18-16-27/h4-6,10-11,15-18,25,29-33,35,49H,3,7-9,12-14,19-24,42H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,56,57)/t25-,29-,30-,31-,32-,33-,35-/m0/s1 INChiKey: RKYJTDSQXOMDAD-JKXTZXEVSA-N Opioid agonist according to the BindingDB database the BIOPEP-UWM database of bioactive peptides (ID 3262) the ChEMBL database the EROP-Moscow database the PepBank database the PubChem database Inhibitor of Cathepsin B (EC 3.4.22.1) (MEROPS ID: C01.060) according to the PepBank database (ID 45021) Immunomodulatory peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9281) the MBPDB database Anticancer peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9176) the MBPDB database Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 10050) the MBPDB database Inhibitor of Acetylcholinesterase (EC 3.1.1.7) according to the BIOPEP-UWM database of bioactive peptides (ID 10240) Inhibitor of Butyrylcholinesterase (EC 3.1.1.8) according to the BIOPEP-UWM database of bioactive peptides (ID 10241) Potentially antithrombotic peptide according to the BIOPEP-UWM Virtual database the DFPB database Bitter peptide according to BIOPEP-UWM database of sensory peptides and amino acids (ID 136)

Number_of_Residues

7