TPDB

3D PDB MODEL

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TPDB ID TPDB47688

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

EAP

FASTA

>TPDB47688|ACE inhibitors;Antihypertensive|length=3
EAP

Formula C13H21N3O6

Absent Amino Acids RNDCQGHILKMFSTWYV

Common Amino Acids AEP

Mass 315.33

PI 3.29

Basic Residues 0

Acidic Residues 1

Hydrophobic Residues 1

Net Charge -1

Boman Index 2.30

Hydrophobicity -1.100

Aliphatic Index 33.33

Half Life

Mammalian: 1 hour Yeast: 30 min E.coli: >10 hour

Extinction Coefficient Cystines 0

Absorbance 280nm 0.00

Polar Residues 0

number

1

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

0

F

1

P

0

S

0

T

0

W

0

Y

0

V

Amino Acid Distribution

A: 1 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: 0 P: 1 S: 0 T: 0 W: 0 Y: 0 V: 0

Length

3

Formula

C13H21N3O6

Mass

315.33

PI

3.29

Net Charge

-1

Boman Index

2.30

Hydrophobicity

-1.100

Chemical_Mass

315.3215

Monoisotopic_Mass

315.1425

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 407.40 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])(CCC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N1[C@@]([H])(CCC1)C(=O)O InChI=1S/C13H21N3O6/c1-7(15-11(19)8(14)4-5-10(17)18)12(20)16-6-2-3-9(16)13(21)22/h7-9H,2-6,14H2,1H3,(H,15,19)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 InChIKey: IRDASPPCLZIERZ-CIUDSAMLSA-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 407.40 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])(CCC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N1[C@@]([H])(CCC1)C(=O)O InChI=1S/C13H21N3O6/c1-7(15-11(19)8(14)4-5-10(17)18)12(20)16-6-2-3-9(16)13(21)22/h7-9H,2-6,14H2,1H3,(H,15,19)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 InChIKey: IRDASPPCLZIERZ-CIUDSAMLSA-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