TPDB

3D PDB MODEL

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TPDB ID TPDB47489

Peptide_Name

ACE inhibitor from kappa-CN (fr. 13-17)

Activity

ACE inhibitors Antihypertensive

Activity_category_statistics

Cardiometabolic peptides

Database_Source

Peptipedia AHTPDB AHTpin

Sequence_Type

standard

Has_Modification No

Description A 5-aa standard natural multi-activity (ACE inhibitors and Antihypertensive) peptide sequence curated from Peptipedia, AHTPDB, and AHTpin, with an available 3D structural model.

Sequence

KDERF

FASTA

>TPDB47489|ACE inhibitors;Antihypertensive|length=5
KDERF

Formula C30H47N9O10

Absent Amino Acids ANCQGHILMPSTWYV

Common Amino Acids RDEKF

Mass 693.76

PI 7.01

Basic Residues 2

Acidic Residues 2

Hydrophobic Residues 1

Net Charge +0

Boman Index 3.92

Hydrophobicity -2.520

Aliphatic Index 0.00

Half Life

Mammalian: 1.3 hour Yeast: 3 min E.coli: 2 min

Extinction Coefficient Cystines 0

Absorbance 280nm 0.00

Polar Residues 0

number

0

A

1

R

0

N

1

D

0

C

1

E

0

Q

0

G

0

H

0

I

0

L

1

K

0

M

1

F

0

P

0

S

0

T

0

W

0

Y

0

V

Amino Acid Distribution

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

Length

5

Formula

C30H47N9O10

Mass

693.76

PI

7.01

Net Charge

+0

Boman Index

3.92

Hydrophobicity

-2.520

Chemical_Mass

693.7466

Monoisotopic_Mass

693.3435

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 848.00 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 Gomez-Ruiz J. A., Ramos M., Recio I.

Title

Identification of novel angiotensin-converting enzyme-inhibitory peptides from ovine milk proteins by CE-MS and chromatographic techniques. Electrophoresis, 28, 4202-4211, 2007

Year 2007

Literature Source Journal

Other

Number of Residues 5

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O InChI=1S/C30H47N9O10/c31-13-5-4-9-18(32)25(44)38-21(16-24(42)43)28(47)37-20(11-12-23(40)41)27(46)36-19(10-6-14-35-30(33)34)26(45)39-22(29(48)49)15-17-7-2-1-3-8-17/h1-3,7-8,18-22H,4-6,9-16,31-32H2,(H,36,46)(H,37,47)(H,38,44)(H,39,45)(H,40,41)(H,42,43)(H,48,49)(H4,33,34,35)/t18-,19-,20-,21-,22-/m0/s1 InChIKey=XNMWJUJDZJEKGG-YFNVTMOMSA-N

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 848.00 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 Gomez-Ruiz J. A., Ramos M., Recio I.

Title

Identification of novel angiotensin-converting enzyme-inhibitory peptides from ovine milk proteins by CE-MS and chromatographic techniques. Electrophoresis, 28, 4202-4211, 2007

Year 2007

Literature Source Journal

Other

Source Activity Label	Source Definition
Antihypertensive	AHTPDB manually curated experimentally validated antihypertensive peptide annotation.

Number of Residues 5

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O InChI=1S/C30H47N9O10/c31-13-5-4-9-18(32)25(44)38-21(16-24(42)43)28(47)37-20(11-12-23(40)41)27(46)36-19(10-6-14-35-30(33)34)26(45)39-22(29(48)49)15-17-7-2-1-3-8-17/h1-3,7-8,18-22H,4-6,9-16,31-32H2,(H,36,46)(H,37,47)(H,38,44)(H,39,45)(H,40,41)(H,42,43)(H,48,49)(H4,33,34,35)/t18-,19-,20-,21-,22-/m0/s1 InChIKey=XNMWJUJDZJEKGG-YFNVTMOMSA-N

Number_of_Residues

5