TPDB

3D PDB MODEL

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TPDB ID TPDB01273

Peptide_Name

ACE inhibitor Antihypertensive peptide derived from spinach Rubisco

Activity

ACE inhibitors Antihypertensive Antioxidant

Activity_category_statistics

Cardiometabolic peptides Functional / health-promoting peptides

Database_Source

Peptipedia AHTPDB AHTpin

Sequence_Type

standard

Has_Modification No

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

Sequence

MRWRD

FASTA

>TPDB01273|ACE inhibitors;Antihypertensive;Antioxidant|length=5
MRWRD

Formula C32H50N12O8S1

Absent Amino Acids ANCEQGHILKFPSTYV

Common Amino Acids R

Mass 762.88

PI 10.89

Basic Residues 2

Acidic Residues 1

Hydrophobic Residues 2

Net Charge +1

Boman Index 0.77

Hydrophobicity -2.300

Aliphatic Index 0.00

Half Life

Mammalian: 30 hour Yeast: >20 hour E.coli: >10 hour

Extinction Coefficient Cystines 5500

Absorbance 280nm 720.95

Polar Residues 0

number

0

A

2

R

0

N

1

D

0

C

0

E

0

Q

0

G

0

H

0

I

0

L

0

K

1

M

0

F

0

P

0

S

0

T

1

W

0

Y

0

V

Amino Acid Distribution

A: 0 R: 2 N: 0 D: 1 C: 0 E: 0 Q: 0 G: 0 H: 0 I: 0 L: 0 K: 0 M: 1 F: 0 P: 0 S: 0 T: 0 W: 1 Y: 0 V: 0

Length

5

Formula

C32H50N12O8S1

Mass

762.88

PI

10.89

Net Charge

+1

Boman Index

0.77

Hydrophobicity

-2.300

Chemical_Mass

762.8791

Monoisotopic_Mass

762.3585

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 2.10 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 Yang Y., Marczak E.D., Yokoo M., Usui H., Yoshikawa M.

Title

Isolation and antihypertensive effect of angiotensin I-converting enzyme (ACE) inhibitory peptides from spinach Rubisco. J. Agric. Food. Chem., 51(17): 4897-4902, 2003

Year 2003

Literature Source Journal

Other

Number of Residues 5

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=C[N]([H])C2=CC=CC=C12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O InChI=1S/C32H50N12O8S/c1-53-13-10-19(33)26(47)41-21(8-4-11-38-31(34)35)27(48)43-23(14-17-16-40-20-7-3-2-6-18(17)20)29(50)42-22(9-5-12-39-32(36)37)28(49)44-24(30(51)52)15-25(45)46/h2-3,6-7,16,19,21-24,40H,4-5,8-15,33H2,1H3,(H,41,47)(H,42,50)(H,43,48)(H,44,49)(H,45,46)(H,51,52)(H4,34,35,38)(H4,36,37,39)/t19-,21-,22-,23-,24-/m0/s1 InChIKey: SMZWMXSYYZOAMD-DUSBTPNUSA-N Antihypertensive peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9655)

Evidence 2 Activity

Activity

Activity Endpoint EC50

Detail Source Activity Antihypertensive

Activity Measurement 0.00 µM

Function Antihypertensive effect after oral administration to spontaneously hypertensive rats

Detail Activity hypotensive

Activity Code hyp

Source & Reference

Database Source AHTPDB

Authors Yang Y., Marczak E.D., Yokoo M., Usui H., Yoshikawa M.

Title

Isolation and antihypertensive effect of angiotensin I-converting enzyme (ACE) inhibitory peptides from spinach Rubisco. J. Agric. Food. Chem., 51(17): 4897-4902, 2003

Year 2003

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](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=C[N]([H])C2=CC=CC=C12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O InChI=1S/C32H50N12O8S/c1-53-13-10-19(33)26(47)41-21(8-4-11-38-31(34)35)27(48)43-23(14-17-16-40-20-7-3-2-6-18(17)20)29(50)42-22(9-5-12-39-32(36)37)28(49)44-24(30(51)52)15-25(45)46/h2-3,6-7,16,19,21-24,40H,4-5,8-15,33H2,1H3,(H,41,47)(H,42,50)(H,43,48)(H,44,49)(H,45,46)(H,51,52)(H4,34,35,38)(H4,36,37,39)/t19-,21-,22-,23-,24-/m0/s1 InChIKey: SMZWMXSYYZOAMD-DUSBTPNUSA-N Inhibitor of Angiotensin-converting enzyme (ACE) (EC 3.4.15.1 MEROPS ID: M02-001) according to the AHTPDB database the BIOPEP-UWM database of bioactive peptides (ID 9664) the EROP-Moscow database

Evidence 3 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 2.10 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 Yang Y., Marczak E.D., Yokoo M., Usui H., Yoshikawa M.

Title

Isolation and antihypertensive effect of angiotensin I-converting enzyme (ACE) inhibitory peptides from spinach Rubisco. J. Agric. Food. Chem., 51(17): 4897-4902, 2003

Year 2003

Literature Source Journal

Other

Number of Residues 5

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=C[N]([H])C2=CC=CC=C12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O InChI=1S/C32H50N12O8S/c1-53-13-10-19(33)26(47)41-21(8-4-11-38-31(34)35)27(48)43-23(14-17-16-40-20-7-3-2-6-18(17)20)29(50)42-22(9-5-12-39-32(36)37)28(49)44-24(30(51)52)15-25(45)46/h2-3,6-7,16,19,21-24,40H,4-5,8-15,33H2,1H3,(H,41,47)(H,42,50)(H,43,48)(H,44,49)(H,45,46)(H,51,52)(H4,34,35,38)(H4,36,37,39)/t19-,21-,22-,23-,24-/m0/s1 InChIKey: SMZWMXSYYZOAMD-DUSBTPNUSA-N Antihypertensive peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9655)

Number_of_Residues

5