TPDB

3D PDB MODEL

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TPDB ID TPDB47677

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

MPP

FASTA

>TPDB47677|ACE inhibitors;Antihypertensive|length=3
MPP

Formula C15H25N3O4S1

Absent Amino Acids ARNDCEQGHILKFSTWYV

Common Amino Acids P

Mass 343.44

PI 6.02

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 1

Net Charge -0

Boman Index 0.67

Hydrophobicity -0.433

Aliphatic Index 0.00

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

0

G

0

H

0

I

0

L

0

K

1

M

0

F

2

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: 0 G: 0 H: 0 I: 0 L: 0 K: 0 M: 1 F: 0 P: 2 S: 0 T: 0 W: 0 Y: 0 V: 0

Length

3

Formula

C15H25N3O4S1

Mass

343.44

PI

6.02

Net Charge

-0

Boman Index

0.67

Hydrophobicity

-0.433

Chemical_Mass

343.4418

Monoisotopic_Mass

343.1560

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 9.55 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])(CCSC)C(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)O InChI=1S/C15H25N3O4S/c1-23-9-6-10(16)13(19)17-7-2-4-11(17)14(20)18-8-3-5-12(18)15(21)22/h10-12H,2-9,16H2,1H3,(H,21,22)/t10-,11-,12-/m0/s1 InChIKey: XIGAHPDZLAYQOS-SRVKXCTJSA-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 9.55 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])(CCSC)C(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)O InChI=1S/C15H25N3O4S/c1-23-9-6-10(16)13(19)17-7-2-4-11(17)14(20)18-8-3-5-12(18)15(21)22/h10-12H,2-9,16H2,1H3,(H,21,22)/t10-,11-,12-/m0/s1 InChIKey: XIGAHPDZLAYQOS-SRVKXCTJSA-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