TPDB

3D PDB MODEL

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TPDB ID TPDB47664

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

FYN

FASTA

>TPDB47664|ACE inhibitors;Antihypertensive|length=3
FYN

Formula C22H26N4O6

Absent Amino Acids ARDCEQGHILKMPSTWV

Common Amino Acids NFY

Mass 442.47

PI 5.94

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 2

Net Charge -0

Boman Index -1.65

Hydrophobicity -0.667

Aliphatic Index 0.00

Half Life

Mammalian: 1.1 hour Yeast: 3 min E.coli: 2 min

Extinction Coefficient Cystines 1490

Absorbance 280nm 336.74

Polar Residues 2

number

0

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

1

F

0

P

0

S

0

T

0

W

1

Y

0

V

Amino Acid Distribution

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

Length

3

Formula

C22H26N4O6

Mass

442.47

PI

5.94

Net Charge

-0

Boman Index

-1.65

Hydrophobicity

-0.667

Chemical_Mass

442.4640

Monoisotopic_Mass

442.1846

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 18.20 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])(Cc1ccccc1)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(CC(=O)N)C(=O)O InChI=1S/C22H26N4O6/c23-16(10-13-4-2-1-3-5-13)20(29)25-17(11-14-6-8-15(27)9-7-14)21(30)26-18(22(31)32)12-19(24)28/h1-9,16-18,27H,10-12,23H2,(H2,24,28)(H,25,29)(H,26,30)(H,31,32)/t16-,17-,18-/m0/s1 InChIKey: GTMSCDVFQLNEOY-BZSNNMDCSA-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 18.20 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])(Cc1ccccc1)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(CC(=O)N)C(=O)O InChI=1S/C22H26N4O6/c23-16(10-13-4-2-1-3-5-13)20(29)25-17(11-14-6-8-15(27)9-7-14)21(30)26-18(22(31)32)12-19(24)28/h1-9,16-18,27H,10-12,23H2,(H2,24,28)(H,25,29)(H,26,30)(H,31,32)/t16-,17-,18-/m0/s1 InChIKey: GTMSCDVFQLNEOY-BZSNNMDCSA-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