TPDB

3D PDB MODEL

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TPDB ID TPDB47618

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors Antihypertensive

Activity_category_statistics

Cardiometabolic peptides

Database_Source

Peptipedia AHTPDB AHTpin

Sequence_Type

standard

Has_Modification No

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

Sequence

HQG

FASTA

>TPDB47618|ACE inhibitors;Antihypertensive|length=3
HQG

Formula C13H20N6O5

Absent Amino Acids ARNDCEILKMFPSTWYV

Common Amino Acids QGH

Mass 340.34

PI 7.85

Basic Residues 1

Acidic Residues 0

Hydrophobic Residues 0

Net Charge +0

Boman Index 1.55

Hydrophobicity -2.367

Aliphatic Index 0.00

Half Life

Mammalian: 3.5 hour Yeast: 10 min E.coli: >10 hour

Extinction Coefficient Cystines 0

Absorbance 280nm 0.00

Polar Residues 1

number

0

A

0

R

0

N

0

D

0

C

0

E

1

Q

1

G

1

H

0

I

0

L

0

K

0

M

0

F

0

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

Length

3

Formula

C13H20N6O5

Mass

340.34

PI

7.85

Net Charge

+0

Boman Index

1.55

Hydrophobicity

-2.367

Chemical_Mass

340.3343

Monoisotopic_Mass

340.1491

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 741.30 µM

Function Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: XM02-001)

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](CC1=CN=CN1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(O)=O InChI=1S/C13H20N6O5/c14-8(3-7-4-16-6-18-7)12(23)19-9(1-2-10(15)20)13(24)17-5-11(21)22/h4,6,8-9H,1-3,5,14H2,(H2,15,20)(H,16,18)(H,17,24)(H,19,23)(H,21,22)/t8-,9-/m0/s1 InChIKey: HVCRQRQPIIRNLY-IUCAKERBSA-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 741.30 µM

Function Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: XM02-001)

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](CC1=CN=CN1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(O)=O InChI=1S/C13H20N6O5/c14-8(3-7-4-16-6-18-7)12(23)19-9(1-2-10(15)20)13(24)17-5-11(21)22/h4,6,8-9H,1-3,5,14H2,(H2,15,20)(H,16,18)(H,17,24)(H,19,23)(H,21,22)/t8-,9-/m0/s1 InChIKey: HVCRQRQPIIRNLY-IUCAKERBSA-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