TPDB

3D PDB MODEL

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TPDB ID TPDB01126

Peptide_Name

ACE inhibitor Anti-inflammatory peptide Dipeptidyl peptidase IV inhibitor

Activity

ACE inhibitors Anti-inflammatory Antidiabetic 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, Antidiabetic, and other sources) peptide sequence curated from Peptipedia, AHTPDB, AHTpin, and other sources, with an available 3D structural model.

Sequence

LPF

FASTA

>TPDB01126|ACE inhibitors;Anti-inflammatory;Antidiabetic;Antihypertensive;Antioxidant|length=3
LPF

Formula C20H29N3O4

Absent Amino Acids ARNDCEQGHIKMSTWYV

Common Amino Acids LFP

Mass 375.47

PI 6.02

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 2

Net Charge -0

Boman Index -1.24

Hydrophobicity 1.667

Aliphatic Index 130.00

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

1

L

0

K

0

M

1

F

1

P

0

S

0

T

0

W

0

Y

0

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: 1 K: 0 M: 0 F: 1 P: 1 S: 0 T: 0 W: 0 Y: 0 V: 0

Length

3

Formula

C20H29N3O4

Mass

375.47

PI

6.02

Net Charge

-0

Boman Index

-1.24

Hydrophobicity

1.667

Chemical_Mass

375.4608

Monoisotopic_Mass

375.2151

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 39.81 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 Wu J., Aluko R. E., Nakai S.

Title

Structural requirements of angiotensin I-converting enzyme inhibitory activity: quantitative structure-activity relationship study of di- and tripeptides. J. Agric. Food Chem., 54, 732-738, 2006

Year 2006

Literature Source Journal

Other

Number of Residues 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@]([H])(CC(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)O InChI=1S/C20H29N3O4/c1-13(2)11-15(21)19(25)23-10-6-9-17(23)18(24)22-16(20(26)27)12-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,16-,17-/m0/s1 InChIKey: XXXXOVFBXRERQL-ULQDDVLXSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001 Anti-inflammatory peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9870) Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 10384) Predicted ligand of ubiquitin ligase (XIAP) (EC 2.3.2.27) (Alpha Fold ID AF-P98170-F1-model-v2) according to the BIOPEP-UWM Virtual database (ID 280)

Evidence 2 Activity

Activity

Activity Endpoint EC50

Detail Source Activity Anti-inflammatory

Activity Measurement 0.00 µM

Function Anti-inflammatory

Detail Activity anti inflammatory

Activity Code ai

Source & Reference

Database Source NA

Authors Wang S., Zheng L., Zhao T., Zhang Q., Liu Y., Sun B., Su G., Zhao M.

Title

Inhibitory effects of walnut (Juglans regia) peptides on neuroinflammation and oxidative stress in lipopolysaccharide-induced cognitive impairment mice. J. Agric. Food Chem., 68, 2381-2392, 2020

Year 2020

Literature Source Journal

Other

Number of Residues 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@]([H])(CC(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)O InChI=1S/C20H29N3O4/c1-13(2)11-15(21)19(25)23-10-6-9-17(23)18(24)22-16(20(26)27)12-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,16-,17-/m0/s1 InChIKey: XXXXOVFBXRERQL-ULQDDVLXSA-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 9040) the EROP-Moscow database Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 10384) Predicted ligand of ubiquitin ligase (XIAP) (EC 2.3.2.27) (Alpha Fold ID AF-P98170-F1-model-v2) according to the BIOPEP-UWM Virtual database (ID 280)

Evidence 3 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antidiabetic

Activity Measurement 0.00 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 NA

Authors Ding L., Ma R., You H., Li J., Ge Q., Yu Z., Wang L.

Title

Identification and characterization of dipeptidyl peptidase IV inhibitory peptides from wheat gluten proteins. Journal of Cereal Science, 103, 103396, 2022

Year 2022

Literature Source Journal

Other

Number of Residues 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: NCC(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C(C)C)C(=O)NCC(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)NCC(=O)O InChI=1S/C26H41N7O8/c1-15(2)22(30-24(39)17-7-3-9-31(17)19(34)12-27)25(40)28-13-20(35)32-10-5-8-18(32)26(41)33-11-4-6-16(33)23(38)29-14-21(36)37/h15-18,22H,3-14,27H2,1-2H3,(H,28,40)(H,29,38)(H,30,39)(H,36,37)/t16-,17-,18-,22-/m0/s1 InChIKey= BXDJCQURUMWFJP-ORGXJRBJSA-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 9040) the EROP-Moscow database Anti-inflammatory peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9870) Predicted ligand of ubiquitin ligase (XIAP) (EC 2.3.2.27) (Alpha Fold ID AF-P98170-F1-model-v2) according to the BIOPEP-UWM Virtual database (ID 280)

Evidence 4 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 39.81 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 Wu J., Aluko R. E., Nakai S.

Title

Structural requirements of angiotensin I-converting enzyme inhibitory activity: quantitative structure-activity relationship study of di- and tripeptides. J. Agric. Food Chem., 54, 732-738, 2006

Year 2006

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])(CC(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)O InChI=1S/C20H29N3O4/c1-13(2)11-15(21)19(25)23-10-6-9-17(23)18(24)22-16(20(26)27)12-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,16-,17-/m0/s1 InChIKey: XXXXOVFBXRERQL-ULQDDVLXSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001 Anti-inflammatory peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9870) Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 10384) Predicted ligand of ubiquitin ligase (XIAP) (EC 2.3.2.27) (Alpha Fold ID AF-P98170-F1-model-v2) according to the BIOPEP-UWM Virtual database (ID 280)

Evidence 5 Activity

Activity

Main Bioactivity Antioxidative activity

Detail Source Activity Antioxidant

Source & Reference

Database Source AODB

Source DFBP

Number_of_Residues

3