TPDB

3D PDB MODEL

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TPDB ID TPDB66487

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors

Activity_category_statistics

Cardiometabolic peptides

Database_Source

Peptipedia

Sequence_Type

standard

Has_Modification No

Description A 5-aa standard natural ace inhibitors peptide sequence curated from Peptipedia, with an available 3D structural model.

Sequence

KFPQY

FASTA

>TPDB66487|ACE inhibitors|length=5
KFPQY

Formula C34H47N7O8

Absent Amino Acids ARNDCEGHILMSTWV

Common Amino Acids QKFPY

Mass 681.79

PI 9.74

Basic Residues 1

Acidic Residues 0

Hydrophobic Residues 2

Net Charge +1

Boman Index -0.05

Hydrophobicity -1.500

Aliphatic Index 0.00

Half Life

Mammalian: 1.3 hour Yeast: 3 min E.coli: 2 min

Extinction Coefficient Cystines 1490

Absorbance 280nm 218.54

Polar Residues 2

number

0

A

0

R

0

N

0

D

0

C

0

E

1

Q

0

G

0

H

0

I

0

L

1

K

0

M

1

F

1

P

0

S

0

T

0

W

1

Y

0

V

Amino Acid Distribution

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

Length

5

Formula

C34H47N7O8

Mass

681.79

PI

9.74

Net Charge

+1

Boman Index

-0.05

Hydrophobicity

-1.500

Chemical_Mass

681.7772

Monoisotopic_Mass

681.3475

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 12.37 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 Lin K., Zhang L., Han X., Meng Z., Zhang J., Wu Y., Cheng D.

Title

Quantitative Structure-Activity Relationship modeling coupled with molecular docking analysis in screening of angiotensin I-converting enzyme inhibitory peptides from qula casein hydrolysates obtained by two-enzyme combination hydrolysis. J. Agric. F

Year 2018

Literature Source Journal

Other

Number of Residues 5

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O InChI=1S/C34H47N7O8/c35-17-5-4-9-24(36)30(44)39-26(19-21-7-2-1-3-8-21)33(47)41-18-6-10-28(41)32(46)38-25(15-16-29(37)43)31(45)40-27(34(48)49)20-22-11-13-23(42)14-12-22/h1-3,7-8,11-14,24-28,42H,4-6,9-10,15-20,35-36H2,(H2,37,43)(H,38,46)(H,39,44)(H,40,45)(H,48,49)/t24-,25-,26-,27-,28-/m0/s1 InChIKey: KAAGJUDHRNOSIF-XLIKFSOKSA-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

5