TPDB

3D PDB MODEL

Drag to rotate. Click a residue or atom to inspect it; the selected residue is highlighted in amber.

TPDB ID TPDB47646

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

AGP

FASTA

>TPDB47646|ACE inhibitors;Antihypertensive|length=3
AGP

Formula C10H17N3O4

Absent Amino Acids RNDCEQHILKMFSTWYV

Common Amino Acids AGP

Mass 243.26

PI 6.02

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 1

Net Charge -0

Boman Index 0.29

Hydrophobicity -0.067

Aliphatic Index 33.33

Half Life

Mammalian: 4.4 hour Yeast: >20 hour 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

0

E

0

Q

1

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: 0 Q: 0 G: 1 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

C10H17N3O4

Mass

243.26

PI

6.02

Net Charge

-0

Boman Index

0.29

Hydrophobicity

-0.067

Chemical_Mass

243.2590

Monoisotopic_Mass

243.1215

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 562.30 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])(C)C(=O)NCC(=O)N1[C@@]([H])(CCC1)C(=O)O InChI=1S/C10H17N3O4/c1-6(11)9(15)12-5-8(14)13-4-2-3-7(13)10(16)17/h6-7H,2-5,11H2,1H3,(H,12,15)(H,16,17)/t6-,7-/m0/s1 InChIKey: MQIGTEQXYCRLGK-BQBZGAKWSA-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 562.30 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])(C)C(=O)NCC(=O)N1[C@@]([H])(CCC1)C(=O)O InChI=1S/C10H17N3O4/c1-6(11)9(15)12-5-8(14)13-4-2-3-7(13)10(16)17/h6-7H,2-5,11H2,1H3,(H,12,15)(H,16,17)/t6-,7-/m0/s1 InChIKey: MQIGTEQXYCRLGK-BQBZGAKWSA-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