TPDB

3D PDB MODEL

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TPDB ID TPDB47659

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

RPP

FASTA

>TPDB47659|ACE inhibitors;Antihypertensive|length=3
RPP

Formula C16H28N6O4

Absent Amino Acids ANDCEQGHILKMFSTWYV

Common Amino Acids P

Mass 368.44

PI 11.05

Basic Residues 1

Acidic Residues 0

Hydrophobic Residues 0

Net Charge +1

Boman Index 1.71

Hydrophobicity -2.567

Aliphatic Index 0.00

Half Life

Mammalian: 1 hour Yeast: 2 min E.coli: 2 min

Extinction Coefficient Cystines 0

Absorbance 280nm 0.00

Polar Residues 0

number

0

A

1

R

0

N

0

D

0

C

0

E

0

Q

0

G

0

H

0

I

0

L

0

K

0

M

0

F

2

P

0

S

0

T

0

W

0

Y

0

V

Amino Acid Distribution

A: 0 R: 1 N: 0 D: 0 C: 0 E: 0 Q: 0 G: 0 H: 0 I: 0 L: 0 K: 0 M: 0 F: 0 P: 2 S: 0 T: 0 W: 0 Y: 0 V: 0

Length

3

Formula

C16H28N6O4

Mass

368.44

PI

11.05

Net Charge

+1

Boman Index

1.71

Hydrophobicity

-2.567

Chemical_Mass

368.4302

Monoisotopic_Mass

368.2166

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 0.00 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 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@]([H])(CCCNC(=N)N)C(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)O InChI=1S/C16H28N6O4/c17-10(4-1-7-20-16(18)19)13(23)21-8-2-5-11(21)14(24)22-9-3-6-12(22)15(25)26/h10-12H,1-9,17H2,(H,25,26)(H4,18,19,20)/t10-,11-,12-/m0/s1 InChIKey: YCYXHLZRUSJITQ-SRVKXCTJSA-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 Neurolysin (EC 3.4.24.16) (MEROPS ID: M03.002) according to the BRENDA database

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 0.00 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 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@]([H])(CCCNC(=N)N)C(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)O InChI=1S/C16H28N6O4/c17-10(4-1-7-20-16(18)19)13(23)21-8-2-5-11(21)14(24)22-9-3-6-12(22)15(25)26/h10-12H,1-9,17H2,(H,25,26)(H4,18,19,20)/t10-,11-,12-/m0/s1 InChIKey: YCYXHLZRUSJITQ-SRVKXCTJSA-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 Neurolysin (EC 3.4.24.16) (MEROPS ID: M03.002) according to the BRENDA database

Number_of_Residues

3