TPDB

3D PDB MODEL

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TPDB ID TPDB47703

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors Antihypertensive

Activity_category_statistics

Cardiometabolic peptides

Database_Source

Peptipedia AHTPDB

Sequence_Type

standard

Has_Modification No

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

Sequence

IAY

FASTA

>TPDB47703|ACE inhibitors;Antihypertensive|length=3
IAY

Formula C18H27N3O5

Absent Amino Acids RNDCEQGHLKMFPSTWV

Common Amino Acids AIY

Mass 365.43

PI 5.94

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 3

Net Charge -0

Boman Index -1.42

Hydrophobicity 1.667

Aliphatic Index 163.33

Half Life

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

Extinction Coefficient Cystines 1490

Absorbance 280nm 407.74

Polar Residues 1

number

1

A

0

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

0

W

1

Y

0

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

Length

3

Formula

C18H27N3O5

Mass

365.43

PI

5.94

Net Charge

-0

Boman Index

-1.42

Hydrophobicity

1.667

Chemical_Mass

365.4230

Monoisotopic_Mass

365.1944

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 12.59 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](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)C)[C@H](CC)C InChI=1S/C18H27N3O5/c1-4-10(2)15(19)17(24)20-11(3)16(23)21-14(18(25)26)9-12-5-7-13(22)8-6-12/h5-8,10-11,14-15,22H,4,9,19H2,1-3H3,(H,20,24)(H,21,23)(H,25,26)/t10-,11-,14-,15-/m0/s1 InChIKey: HERITAGIPLEJMT-GVARAGBVSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 12.59 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](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)C)[C@H](CC)C InChI=1S/C18H27N3O5/c1-4-10(2)15(19)17(24)20-11(3)16(23)21-14(18(25)26)9-12-5-7-13(22)8-6-12/h5-8,10-11,14-15,22H,4,9,19H2,1-3H3,(H,20,24)(H,21,23)(H,25,26)/t10-,11-,14-,15-/m0/s1 InChIKey: HERITAGIPLEJMT-GVARAGBVSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001

Number_of_Residues

3