TPDB

3D PDB MODEL

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TPDB ID TPDB47529

Peptide_Name

ACE inhibitor dipeptidyl peptidase IV inhibitor (DPP IV inhibitor)

Activity

ACE inhibitors Antihypertensive iDPPIV

Activity_category_statistics

Cardiometabolic peptides

Database_Source

Peptipedia AHTPDB AHTpin iDPPIV

Sequence_Type

standard

Has_Modification No

Description A 2-aa standard natural multi-activity (ACE inhibitors, Antihypertensive, and iDPPIV) peptide sequence curated from Peptipedia, AHTPDB, AHTpin, and other sources, with an available 3D structural model.

Sequence

MW

FASTA

>TPDB47529|ACE inhibitors;Antihypertensive;iDPPIV|length=2
MW

Formula C16H21N3O3S1

Absent Amino Acids ARNDCEQGHILKFPSTYV

Common Amino Acids MW

Mass 335.42

PI 6.02

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 2

Net Charge -0

Boman Index -2.08

Hydrophobicity 0.500

Aliphatic Index 0.00

Half Life

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

Extinction Coefficient Cystines 5500

Absorbance 280nm 1639.73

Polar Residues 0

number

0

A

0

R

0

N

0

D

0

C

0

E

0

Q

0

G

0

H

0

I

0

L

0

K

1

M

0

F

0

P

0

S

0

T

1

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

Length

2

Formula

C16H21N3O3S1

Mass

335.42

PI

6.02

Net Charge

-0

Boman Index

-2.08

Hydrophobicity

0.500

Chemical_Mass

335.4215

Monoisotopic_Mass

335.1299

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 10.00 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 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 2

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O InChI=1S/C16H21N3O3S/c1-23-7-6-12(17)15(20)19-14(16(21)22)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)/t12-,14-/m0/s1 InChIKey: XYVRXLDSCKEYES-JSGCOSHPSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001 Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8690) the EROP-Moscow database

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 10.00 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 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 2

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O InChI=1S/C16H21N3O3S/c1-23-7-6-12(17)15(20)19-14(16(21)22)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)/t12-,14-/m0/s1 InChIKey: XYVRXLDSCKEYES-JSGCOSHPSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001 Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8690) the EROP-Moscow database

Evidence 3 Activity

Activity

Activity Endpoint IC50

Detail Source Activity iDPPIV

Activity Measurement 1691.40 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 Nongonierma A. B., Mooney C., Shields D. C., FitzGerald R. J.

Title

In silico approaches to predict the potential of milk protein-derivedpeptides as dipeptidyl peptidase IV (DPP-IV) inhibitors. Peptides 57, 43-51

Year 2014

Literature Source Journal

Other

Number of Residues 2

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O InChI=1S/C16H21N3O3S/c1-23-7-6-12(17)15(20)19-14(16(21)22)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)/t12-,14-/m0/s1 InChIKey: XYVRXLDSCKEYES-JSGCOSHPSA-N Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database the BindingDB database the BIOPEP-UWM database of bioactive peptides (ID 9091) the BRENDA database the ChEMBL database the EROP-Moscow database the PubChem database

Number_of_Residues

2