TPDB

3D PDB MODEL

Drag to rotate. Click a residue or atom to inspect it; the selected residue is highlighted in amber.

TPDB ID TPDB66659

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors

Activity_category_statistics

Cardiometabolic peptides

Database_Source

Peptipedia

Sequence_Type

standard

Has_Modification No

Description A 9-aa standard natural ace inhibitors peptide sequence curated from Peptipedia, with an available 3D structural model.

Sequence

VEQKHIQKE

FASTA

>TPDB66659|ACE inhibitors|length=9
VEQKHIQKE

Formula C49H83N15O16

Absent Amino Acids ARNDCGLMFPSTWY

Common Amino Acids EQK

Mass 1138.29

PI 7.79

Basic Residues 3

Acidic Residues 2

Hydrophobic Residues 2

Net Charge +0

Boman Index 7.90

Hydrophobicity -1.811

Aliphatic Index 75.56

Half Life

Mammalian: 100 hour Yeast: >20 hour E.coli: >10 hour

Extinction Coefficient Cystines 0

Absorbance 280nm 0.00

Polar Residues 2

number

0

A

0

R

0

N

0

D

0

C

2

E

2

Q

0

G

1

H

1

I

0

L

2

K

0

M

0

F

0

P

0

S

0

T

0

W

0

Y

1

V

Amino Acid Distribution

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

Length

9

Formula

C49H83N15O16

Mass

1138.29

PI

7.79

Net Charge

+0

Boman Index

7.90

Hydrophobicity

-1.811

Chemical_Mass

1138.2709

Monoisotopic_Mass

1137.6123

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 0.00 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 Villegas J. M., Picariello G., Mamone G., Espeche Turbay M. B., Savoy de Giori G., Hebert E. M.

Title

Milk-derived angiotensin-I-converting enzyme-inhibitory peptides generated by Lactobacillus delbrueckii subsp. lactis CRL 581. Peptidomics 1: 22–29, 2014.

Year 2014

Literature Source Journal

Other

Number of Residues 9

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@@](CCC(O)=O)(NC(=O)[C@]([H])(CCCCN)NC(=O)[C@]([H])(CCC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CC1=CN=CN1)NC(=O)[C@]([H])(CCCCN)NC(=O)[C@]([H])(CCC(N)=O)NC(=O)[C@]([H])(CCC(O)=O)NC(=O)[C@@]([H])(N)C(C)C)[C@@H](C)CC)C(O)=O InChI=1S/C49H83N15O16/c1-5-26(4)40(48(78)61-31(13-17-36(53)66)44(74)57-28(10-6-8-20-50)41(71)62-33(49(79)80)15-19-38(69)70)64-46(76)34(22-27-23-55-24-56-27)63-42(72)29(11-7-9-21-51)58-43(73)30(12-16-35(52)65)59-45(75)32(14-18-37(67)68)60-47(77)39(54)25(2)3/h23-26,28-34,39-40H,5-22,50-51,54H2,1-4H3,(H2,52,65)(H2,53,66)(H,55,56)(H,57,74)(H,58,73)(H,59,75)(H,60,77)(H,61,78)(H,62,71)(H,63,72)(H,64,76)(H,67,68)(H,69,70)(H,79,80)/t26-,28-,29-,30-,31-,32-,33-,34-,39-,40-/m0/s1 InChIKey: HYENLYQKWDQKHQ-GLBVKZEYSA-N

Number_of_Residues

9