TPDB

3D PDB MODEL

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TPDB ID TPDB66409

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors

Activity_category_statistics

Cardiometabolic peptides

Database_Source

Peptipedia

Sequence_Type

standard

Has_Modification No

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

Sequence

FKR

FASTA

>TPDB66409|ACE inhibitors|length=3
FKR

Formula C21H35N7O4

Absent Amino Acids ANDCEQGHILMPSTWYV

Common Amino Acids RKF

Mass 449.55

PI 11.49

Basic Residues 2

Acidic Residues 0

Hydrophobic Residues 1

Net Charge +2

Boman Index 0.67

Hydrophobicity -1.867

Aliphatic Index 0.00

Half Life

Mammalian: 1.1 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

0

H

0

I

0

L

1

K

0

M

1

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: 0 I: 0 L: 0 K: 1 M: 0 F: 1 P: 0 S: 0 T: 0 W: 0 Y: 0 V: 0

Length

3

Formula

C21H35N7O4

Mass

449.55

PI

11.49

Net Charge

+2

Boman Index

0.67

Hydrophobicity

-1.867

Chemical_Mass

449.5457

Monoisotopic_Mass

449.2743

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 77.90 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 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O InChI=1S/C21H35N7O4/c22-11-5-4-9-16(27-18(29)15(23)13-14-7-2-1-3-8-14)19(30)28-17(20(31)32)10-6-12-26-21(24)25/h1-3,7-8,15-17H,4-6,9-13,22-23H2,(H,27,29)(H,28,30)(H,31,32)(H4,24,25,26)/t15-,16-,17-/m0/s1 InChIKey=DMEYUTSDVRCWRS-ULQDDVLXSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001 Antiviral peptide according to the BIOPEP-UWM database of bioactive peptides, the ChEMBL database, the PubChem database

Number_of_Residues

3