TPDB

3D PDB MODEL

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TPDB ID TPDB47615

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

FEP

FASTA

>TPDB47615|ACE inhibitors;Antihypertensive|length=3
FEP

Formula C19H25N3O6

Absent Amino Acids ARNDCQGHILKMSTWYV

Common Amino Acids EFP

Mass 391.42

PI 3.29

Basic Residues 0

Acidic Residues 1

Hydrophobic Residues 1

Net Charge -1

Boman Index 1.34

Hydrophobicity -0.767

Aliphatic Index 0.00

Half Life

Mammalian: 1.1 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

1

E

0

Q

0

G

0

H

0

I

0

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: 1 Q: 0 G: 0 H: 0 I: 0 L: 0 K: 0 M: 0 F: 1 P: 1 S: 0 T: 0 W: 0 Y: 0 V: 0

Length

3

Formula

C19H25N3O6

Mass

391.42

PI

3.29

Net Charge

-1

Boman Index

1.34

Hydrophobicity

-0.767

Chemical_Mass

391.4173

Monoisotopic_Mass

391.1737

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 12.02 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 database of bioactive peptides SMILES: N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N1[C@@]([H])(CCC1)C(=O)O InChI=1S/C19H25N3O6/c20-13(11-12-5-2-1-3-6-12)17(25)21-14(8-9-16(23)24)18(26)22-10-4-7-15(22)19(27)28/h1-3,5-6,13-15H,4,7-11,20H2,(H,21,25)(H,23,24)(H,27,28)/t13-,14-,15-/m0/s1 InChIKey: CSDMCMITJLKBAH-KKUMJFAQSA-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 12.02 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 database of bioactive peptides SMILES: N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N1[C@@]([H])(CCC1)C(=O)O InChI=1S/C19H25N3O6/c20-13(11-12-5-2-1-3-6-12)17(25)21-14(8-9-16(23)24)18(26)22-10-4-7-15(22)19(27)28/h1-3,5-6,13-15H,4,7-11,20H2,(H,21,25)(H,23,24)(H,27,28)/t13-,14-,15-/m0/s1 InChIKey: CSDMCMITJLKBAH-KKUMJFAQSA-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