TPDB

3D PDB MODEL

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TPDB ID TPDB66527

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors

Activity_category_statistics

Cardiometabolic peptides

Database_Source

Peptipedia

Sequence_Type

standard

Has_Modification No

Description A 4-aa standard natural ace inhibitors peptide sequence curated from Peptipedia, with an available 3D structural model.

Sequence

LLRH

FASTA

>TPDB66527|ACE inhibitors|length=4
LLRH

Formula C24H43N9O5

Absent Amino Acids ANDCEQGIKMFPSTWYV

Common Amino Acids L

Mass 537.66

PI 11.05

Basic Residues 2

Acidic Residues 0

Hydrophobic Residues 2

Net Charge +1

Boman Index 0.65

Hydrophobicity -0.025

Aliphatic Index 195.00

Half Life

Mammalian: 5.5 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

0

D

0

C

0

E

0

Q

0

G

1

H

0

I

2

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

Length

4

Formula

C24H43N9O5

Mass

537.66

PI

11.05

Net Charge

+1

Boman Index

0.65

Hydrophobicity

-0.025

Chemical_Mass

537.6538

Monoisotopic_Mass

537.3378

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 307.50 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 Liu R., Zhu Y., Chen J., Wu H., Shi L., Wang X., Wang L.

Title

Characterization of ACE inhibitory peptides from Mactra veneriformis hydrolysate by nano-liquid chromatography electrospray ionization mass spectrometry (Nano-LC-ESI-MS) and molecular docking. Mar. Drugs, 12, 3917-3928, 2014

Year 2014

Literature Source Journal

Other

Number of Residues 4

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O InChI=1S/C24H43N9O5/c1-13(2)8-16(25)20(34)32-18(9-14(3)4)22(36)31-17(6-5-7-29-24(26)27)21(35)33-19(23(37)38)10-15-11-28-12-30-15/h11-14,16-19H,5-10,25H2,1-4H3,(H,28,30)(H,31,36)(H,32,34)(H,33,35)(H,37,38)(H4,26,27,29)/t16-,17-,18-,19-/m0/s1 InChIKey: WHQLAEZIURIPPX-VJANTYMQSA-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

4