TPDB

3D PDB MODEL

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TPDB ID TPDB66334

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors

Activity_category_statistics

Cardiometabolic peptides

Database_Source

pep-lab Peptipedia

Sequence_Type

standard

Has_Modification No

Description A 16-aa standard natural ace inhibitors peptide sequence curated from pep-lab and Peptipedia, with an available 3D structural model.

Sequence

CRQNTLGHNTQTSIAQ

FASTA

>TPDB66334|ACE inhibitors|length=16
CRQNTLGHNTQTSIAQ

Formula C70H118N26O26S1

Absent Amino Acids DEKMFPWYV

Common Amino Acids QT

Mass 1771.93

PI 9.01

Basic Residues 2

Acidic Residues 0

Hydrophobic Residues 3

Net Charge +1

Boman Index 3.63

Hydrophobicity -0.994

Aliphatic Index 55.00

Half Life

Mammalian: 1.2 hour Yeast: >20 hour E.coli: >10 hour

Extinction Coefficient Cystines 0

Absorbance 280nm 0.00

Polar Residues 10

number

1

A

1

R

2

N

0

D

1

C

0

E

3

Q

1

G

1

H

1

I

1

L

0

K

0

M

0

F

0

P

1

S

3

T

0

W

0

Y

0

V

Amino Acid Distribution

A: 1 R: 1 N: 2 D: 0 C: 1 E: 0 Q: 3 G: 1 H: 1 I: 1 L: 1 K: 0 M: 0 F: 0 P: 0 S: 1 T: 3 W: 0 Y: 0 V: 0

Length

16

Formula

C70H118N26O26S1

Mass

1771.93

PI

9.01

Net Charge

+1

Boman Index

3.63

Hydrophobicity

-0.994

Chemical_Mass

1771.9059

Monoisotopic_Mass

1770.8405

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 80.00 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 Forghani B., Zarei M., Ebrahimpour A., Philip R., Bakar J., Hamid A. A., Saari N.

Title

Purification and characterization of angiotensin converting enzyme-inhibitory peptides derived from Stichopus horrens: Stability study against the ACE and inhibition kinetics. J. Funct. Foods, 20, 276-290, 2016

Year 2016

Literature Source Journal

Other

Number of Residues 16

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)O InChI=1S/C70H118N26O26S/c1-9-29(4)51(65(117)83-30(5)55(107)88-39(69(121)122)14-17-47(74)103)93-64(116)44(25-97)92-68(120)54(33(8)100)94-60(112)38(13-16-46(73)102)87-66(118)52(31(6)98)95-63(115)43(22-49(76)105)90-61(113)41(20-34-23-79-27-82-34)84-50(106)24-81-57(109)40(19-28(2)3)91-67(119)53(32(7)99)96-62(114)42(21-48(75)104)89-59(111)37(12-15-45(72)101)86-58(110)36(11-10-18-80-70(77)78)85-56(108)35(71)26-123/h23,27-33,35-44,51-54,97-100,123H,9-22,24-26,71H2,1-8H3,(H2,72,101)(H2,73,102)(H2,74,103)(H2,75,104)(H2,76,105)(H,79,82)(H,81,109)(H,83,117)(H,84,106)(H,85,108)(H,86,110)(H,87,118)(H,88,107)(H,89,111)(H,90,113)(H,91,119)(H,92,120)(H,93,116)(H,94,112)(H,95,115)(H,96,114)(H,121,122)(H4,77,78,80)/t29-,30-,31+,32+,33+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,51-,52-,53-,54-/m0/s1 InChIKey: VQNUXTOYPUUHLT-PXMALFCQSA-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

16