TPDB

3D PDB MODEL

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TPDB ID TPDB00176

Peptide_Name

ACE Inhibitor

Activity

ACE inhibitors Antioxidant

Activity_category_statistics

Cardiometabolic peptides Functional / health-promoting peptides

Database_Source

Peptipedia AoXpDb Multi-AOP

Sequence_Type

standard

Has_Modification No

Description A 20-aa standard natural multi-activity (ACE inhibitors and Antioxidant) peptide sequence curated from Peptipedia, AoXpDb, and Multi-AOP, with an available 3D structural model.

Sequence

AYLQAQQLLPFNQLVRSPAA

FASTA

>TPDB00176|ACE inhibitors;Antioxidant|length=20
AYLQAQQLLPFNQLVRSPAA

Formula C102H162N28O28

Absent Amino Acids DCEGHIKMTW

Common Amino Acids AQL

Mass 2228.58

PI 9.88

Basic Residues 1

Acidic Residues 0

Hydrophobic Residues 11

Net Charge +1

Boman Index -0.34

Hydrophobicity 0.105

Aliphatic Index 112.50

Half Life

Mammalian: 4.4 hour Yeast: >20 hour E.coli: >10 hour

Extinction Coefficient Cystines 1490

Absorbance 280nm 66.86

Polar Residues 7

number

4

A

1

R

1

N

0

D

0

C

0

E

4

Q

0

G

0

H

0

I

4

L

0

K

0

M

1

F

2

P

1

S

0

T

0

W

1

Y

1

V

Amino Acid Distribution

A: 4 R: 1 N: 1 D: 0 C: 0 E: 0 Q: 4 G: 0 H: 0 I: 0 L: 4 K: 0 M: 0 F: 1 P: 2 S: 1 T: 0 W: 0 Y: 1 V: 1

Length

20

Formula

C102H162N28O28

Mass

2228.58

PI

9.88

Net Charge

+1

Boman Index

-0.34

Hydrophobicity

0.105

Chemical_Mass

2228.5420

Monoisotopic_Mass

2227.2076

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 202.04 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 Díaz-Gómez J. L., Neundorf I., López-Castillo L. M., Castorena-Torres F., Serna-Saldívar S. O., García-Lara S.

Title

In Silico Analysis and In Vitro Characterization of the Bioactive Profile of Three Novel Peptides Identified from 19 kDa α-Zein Sequences of Maize. Molecules, 25(22), 5405, 2020

Year 2020

Literature Source Journal

Other

Number of Residues 20

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@]([H])(C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CO)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C)C(=O)O InChI=1S/C102H162N28O28/c1-49(2)41-66(123-92(148)69(120-82(138)54(11)103)46-59-26-28-60(132)29-27-59)90(146)117-62(30-34-76(104)133)85(141)112-56(13)84(140)115-63(31-35-77(105)134)87(143)116-64(32-36-78(106)135)88(144)121-67(42-50(3)4)91(147)126-72(44-52(7)8)99(155)129-39-20-25-75(129)97(153)125-70(45-58-21-16-15-17-22-58)93(149)124-71(47-80(108)137)94(150)118-65(33-37-79(107)136)89(145)122-68(43-51(5)6)95(151)128-81(53(9)10)98(154)119-61(23-18-38-111-102(109)110)86(142)127-73(48-131)100(156)130-40-19-24-74(130)96(152)113-55(12)83(139)114-57(14)101(157)158/h15-17,21-22,26-29,49-57,61-75,81,131-132H,18-20,23-25,30-48,103H2,1-14H3,(H2,104,133)(H2,105,134)(H2,106,135)(H2,107,136)(H2,108,137)(H,112,141)(H,113,152)(H,114,139)(H,115,140)(H,116,143)(H,117,146)(H,118,150)(H,119,154)(H,120,138)(H,121,144)(H,122,145)(H,123,148)(H,124,149)(H,125,153)(H,126,147)(H,127,142)(H,128,151)(H,157,158)(H4,109,110,111)/t54-,55-,56-,57-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1 InChIKey= XVCNJCUUKVWOGG-ARTJTASZSA-N

Number_of_Residues

20