TPDB

3D PDB MODEL

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

TPDB ID TPDB47680

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

DGL

FASTA

>TPDB47680|ACE inhibitors;Antihypertensive|length=3
DGL

Formula C12H21N3O6

Absent Amino Acids ARNCEQHIKMFPSTWYV

Common Amino Acids DGL

Mass 303.32

PI 3.10

Basic Residues 0

Acidic Residues 1

Hydrophobic Residues 1

Net Charge -1

Boman Index 0.68

Hydrophobicity -0.033

Aliphatic Index 130.00

Half Life

Mammalian: 1.1 hour Yeast: 3 min E.coli: >10 hour

Extinction Coefficient Cystines 0

Absorbance 280nm 0.00

Polar Residues 0

number

0

A

0

R

0

N

1

D

0

C

0

E

0

Q

1

G

0

H

0

I

1

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

Length

3

Formula

C12H21N3O6

Mass

303.32

PI

3.10

Net Charge

-1

Boman Index

0.68

Hydrophobicity

-0.033

Chemical_Mass

303.3108

Monoisotopic_Mass

303.1425

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 2.14 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])(CC(=O)O)C(=O)NCC(=O)N[C@@]([H])(CC(C)C)C(=O)O InChI=1S/C12H21N3O6/c1-6(2)3-8(12(20)21)15-9(16)5-14-11(19)7(13)4-10(17)18/h6-8H,3-5,13H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1 InChIKey: QCVXMEHGFUMKCO-YUMQZZPRSA-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 2.14 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])(CC(=O)O)C(=O)NCC(=O)N[C@@]([H])(CC(C)C)C(=O)O InChI=1S/C12H21N3O6/c1-6(2)3-8(12(20)21)15-9(16)5-14-11(19)7(13)4-10(17)18/h6-8H,3-5,13H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1 InChIKey: QCVXMEHGFUMKCO-YUMQZZPRSA-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