TPDB

3D PDB MODEL

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TPDB ID TPDB66258

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

Sequence

HFEAMR

FASTA

>TPDB66258|ACE inhibitors|length=6
HFEAMR

Formula C34H51N11O9S1

Absent Amino Acids NDCQGILKPSTWYV

Common Amino Acids AREHMF

Mass 789.91

PI 7.85

Basic Residues 2

Acidic Residues 1

Hydrophobic Residues 3

Net Charge +0

Boman Index 2.26

Hydrophobicity -0.783

Aliphatic Index 16.67

Half Life

Mammalian: 3.5 hour Yeast: 10 min E.coli: >10 hour

Extinction Coefficient Cystines 0

Absorbance 280nm 0.00

Polar Residues 0

number

1

A

1

R

0

N

0

D

0

C

1

E

0

Q

0

G

1

H

0

I

0

L

0

K

1

M

1

F

0

P

0

S

0

T

0

W

0

Y

0

V

Amino Acid Distribution

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

Length

6

Formula

C34H51N11O9S1

Mass

789.91

PI

7.85

Net Charge

+0

Boman Index

2.26

Hydrophobicity

-0.783

Chemical_Mass

789.9011

Monoisotopic_Mass

789.3581

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 192.30 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 6

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O InChI=1S/C40H59N7O7S/c1-26(2)23-31(35(48)45-32(24-27-13-6-4-7-14-27)36(49)43-30(40(53)54)17-10-11-20-41)44-37(50)33(25-28-15-8-5-9-16-28)46-38(51)34-18-12-21-47(34)39(52)29(42)19-22-55-3/h4-9,13-16,26,29-34H,10-12,17-25,41-42H2,1-3H3,(H,43,49)(H,44,50)(H,45,48)(H,46,51)(H,53,54)/t29-,30-,31-,32-,33-,34-/m0/s1 InChIKey: VVXILQDDJZYTKK-KTHKBMNISA-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

6