TPDB

3D PDB MODEL

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TPDB ID TPDB00834

Peptide_Name

ACE inhibitor dipeptidyl peptidase IV inhibitor (DPP IV inhibitor)

Activity

ACE inhibitors Antibacterial Antioxidant iDPPIV

Activity_category_statistics

Anti-infective peptides Cardiometabolic peptides Functional / health-promoting peptides

Database_Source

pep-lab Peptipedia AODB Multi-AOP iDPPIV

Sequence_Type

standard

Has_Modification No

Description A 6-aa standard natural multi-activity (ACE inhibitors, Antibacterial, Antioxidant, and other sources) peptide sequence curated from pep-lab, Peptipedia, AODB, and other sources, with an available 3D structural model.

Sequence

IPAVFK

FASTA

>TPDB00834|ACE inhibitors;Antibacterial;Antioxidant;iDPPIV|length=6
IPAVFK

Formula C34H55N7O7

Absent Amino Acids RNDCEQGHLMSTWY

Common Amino Acids AIKFPV

Mass 673.85

PI 10.10

Basic Residues 1

Acidic Residues 0

Hydrophobic Residues 4

Net Charge +1

Boman Index -0.10

Hydrophobicity 1.300

Aliphatic Index 130.00

Half Life

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

Extinction Coefficient Cystines 0

Absorbance 280nm 0.00

Polar Residues 0

number

1

A

0

R

0

N

0

D

0

C

0

E

0

Q

0

G

0

H

1

I

0

L

1

K

0

M

1

F

1

P

0

S

0

T

0

W

0

Y

1

V

Amino Acid Distribution

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

Length

6

Formula

C34H55N7O7

Mass

673.85

PI

10.10

Net Charge

+1

Boman Index

-0.10

Hydrophobicity

1.300

Chemical_Mass

673.8410

Monoisotopic_Mass

673.4150

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 144.80 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 O. Power, A. Fernández, R. Norris, F.A. Riera, R.J. FitzGerald

Title

Selective enrichment of bioactive properties during ultrafiltration of a tryptic digest of beta-lactoglobulin, J. Funct. Foods 9 (2014) 38-47.

Year 2014

Literature Source Journal

Other

Number of Residues 6

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@@](C)(NC(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(N)[C@@H](C)CC)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(CCCCN)C(O)=O InChI=1S/C34H55N7O7/c1-6-21(4)27(36)33(46)41-18-12-16-26(41)31(44)37-22(5)29(42)40-28(20(2)3)32(45)39-25(19-23-13-8-7-9-14-23)30(43)38-24(34(47)48)15-10-11-17-35/h7-9,13-14,20-22,24-28H,6,10-12,15-19,35-36H2,1-5H3,(H,37,44)(H,38,43)(H,39,45)(H,40,42)(H,47,48)/t21-,22-,24-,25-,26-,27-,28-/m0/s1 InChIKey: XPBHUUFREVSIGR-OVELHQAISA-N Antibacterial peptide according to the BIOPEP-UWM database of bioactive peptides (ID 8196), the EROP-Moscow database, the MBPDB database Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP database of bioactive peptides (ID 8621), the MBPDB database Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB: 6M03 and PDB: 6LU7) according to the BIOPEP-UWM Virtual database (ID 26)

Evidence 2 Activity

Activity

Main Bioactivity Antioxidative activity

Detail Source Activity Antioxidant

Source & Reference

Database Source AODB

Source DFBP

Evidence 3 Activity

Activity

Activity Endpoint IC50

Detail Source Activity iDPPIV

Activity Measurement 143.00 µM

Function Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003)

Detail Activity dipeptidyl peptidase IV inhibitor

Activity Code dpp

Source & Reference

Database Source iDPPIV

Authors Silveira S. T., Martínez-Maqueda D., Recio I., Hernández-Ledesma B.

Title

Dipeptidyl peptidase-IV inhibitory peptides generated by tryptic hydrolysis of a whey protein concentrate rich in beta-lactoglobulin. Food Chemistry 141, 1072-1077, 2013

Year 2013

Literature Source Journal

Other

Number of Residues 6

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@@](C)(NC(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(N)[C@@H](C)CC)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(CCCCN)C(O)=O InChI=1S/C34H55N7O7/c1-6-21(4)27(36)33(46)41-18-12-16-26(41)31(44)37-22(5)29(42)40-28(20(2)3)32(45)39-25(19-23-13-8-7-9-14-23)30(43)38-24(34(47)48)15-10-11-17-35/h7-9,13-14,20-22,24-28H,6,10-12,15-19,35-36H2,1-5H3,(H,37,44)(H,38,43)(H,39,45)(H,40,42)(H,47,48)/t21-,22-,24-,25-,26-,27-,28-/m0/s1 InChIKey: XPBHUUFREVSIGR-OVELHQAISA-N Antibacterial peptide according to the BIOPEP-UWM database of bioactive peptides (ID 8196), the EROP-Moscow database, the MBPDB database Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the BIOPEP database of bioactive peptides (ID 9232) the MBPDB database Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB: 6M03 and PDB: 6LU7) according to the BIOPEP-UWM Virtual database (ID 26)

Number_of_Residues

6