TPDB

3D PDB MODEL

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TPDB ID TPDB47642

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

GKV

FASTA

>TPDB47642|ACE inhibitors;Antihypertensive|length=3
GKV

Formula C13H26N4O4

Absent Amino Acids ARNDCEQHILMFPSTWY

Common Amino Acids GKV

Mass 302.37

PI 10.10

Basic Residues 1

Acidic Residues 0

Hydrophobic Residues 1

Net Charge +1

Boman Index 1.07

Hydrophobicity -0.033

Aliphatic Index 96.67

Half Life

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

Extinction Coefficient Cystines 0

Absorbance 280nm 0.00

Polar Residues 0

number

0

A

0

R

0

N

0

D

0

C

0

E

0

Q

1

G

0

H

0

I

0

L

1

K

0

M

0

F

0

P

0

S

0

T

0

W

0

Y

1

V

Amino Acid Distribution

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

Length

3

Formula

C13H26N4O4

Mass

302.37

PI

10.10

Net Charge

+1

Boman Index

1.07

Hydrophobicity

-0.033

Chemical_Mass

302.3689

Monoisotopic_Mass

302.1948

Evidence 1 Activity

Activity

Activity Endpoint EC50

Detail Source Activity ACE inhibitors

Activity Measurement 3.89 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: NCC(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(C(C)C)C(=O)O InChI=1S/C13H26N4O4/c1-8(2)11(13(20)21)17-12(19)9(5-3-4-6-14)16-10(18)7-15/h8-9,11H,3-7,14-15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t9-,11-/m0/s1 InChIKey: OQQKUTVULYLCDG-ONGXEEELSA-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 EC50

Detail Source Activity Antihypertensive

Activity Measurement 3.89 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: NCC(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(C(C)C)C(=O)O InChI=1S/C13H26N4O4/c1-8(2)11(13(20)21)17-12(19)9(5-3-4-6-14)16-10(18)7-15/h8-9,11H,3-7,14-15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t9-,11-/m0/s1 InChIKey: OQQKUTVULYLCDG-ONGXEEELSA-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