TPDB

3D PDB MODEL

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TPDB ID TPDB46958

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors Antihypertensive

Activity_category_statistics

Cardiometabolic peptides

Database_Source

pep-lab Peptipedia AHTPDB AHTpin

Sequence_Type

standard

Has_Modification No

Description A 7-aa standard natural multi-activity (ACE inhibitors and Antihypertensive) peptide sequence curated from pep-lab, Peptipedia, AHTPDB, and other sources, with an available 3D structural model.

Sequence

VLDTDYK

FASTA

>TPDB46958|ACE inhibitors;Antihypertensive|length=7
VLDTDYK

Formula C38H60N8O14

Absent Amino Acids ARNCEQGHIMFPSW

Common Amino Acids D

Mass 852.94

PI 3.88

Basic Residues 1

Acidic Residues 2

Hydrophobic Residues 3

Net Charge -1

Boman Index 2.16

Hydrophobicity -0.700

Aliphatic Index 97.14

Half Life

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

Extinction Coefficient Cystines 1490

Absorbance 280nm 174.69

Polar Residues 2

number

0

A

0

R

0

N

2

D

0

C

0

E

0

Q

0

G

0

H

0

I

1

L

1

K

0

M

0

F

0

P

0

S

1

T

0

W

1

Y

1

V

Amino Acid Distribution

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

Length

7

Formula

C38H60N8O14

Mass

852.94

PI

3.88

Net Charge

-1

Boman Index

2.16

Hydrophobicity

-0.700

Chemical_Mass

852.9258

Monoisotopic_Mass

852.4214

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 946.00 µM

Detail Activity ACE inhibitor

Activity Code ah

Source & Reference

Database Source NA

Authors Pihlanto-Leppala A. et al.

Title

Angiotensin I-converting enzyme inhibitory properties of whey protein digests: concentration and characterization of active peptides.J. Dairy Res., 67, 53-64

Year 2000

Literature Source Journal

Other

Number of Residues 7

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@](C)(O)[C@]([H])(NC(=O)[C@]([H])(CC(O)=O)NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@@]([H])(N)C(C)C)C(=O)N[C@@]([H])(CC(O)=O)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(CCCCN)C(O)=O InChI=1S/C38H60N8O14/c1-18(2)14-24(44-36(57)30(40)19(3)4)32(53)43-27(17-29(51)52)35(56)46-31(20(5)47)37(58)45-26(16-28(49)50)34(55)42-25(15-21-9-11-22(48)12-10-21)33(54)41-23(38(59)60)8-6-7-13-39/h9-12,18-20,23-27,30-31,47-48H,6-8,13-17,39-40H2,1-5H3,(H,41,54)(H,42,55)(H,43,53)(H,44,57)(H,45,58)(H,46,56)(H,49,50)(H,51,52)(H,59,60)/t20-,23+,24+,25+,26+,27+,30+,31+/m1/s1 InChIKey=NHWGJDKVDDBRRV-DPSUHZEXSA-N

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 946.00 µM

Detail Activity ACE inhibitor

Activity Code ah

Source & Reference

Database Source AHTPDB

Authors Pihlanto-Leppala A. et al.

Title

Angiotensin I-converting enzyme inhibitory properties of whey protein digests: concentration and characterization of active peptides.J. Dairy Res., 67, 53-64

Year 2000

Literature Source Journal

Other

Source Activity Label	Source Definition
Antihypertensive	AHTPDB manually curated experimentally validated antihypertensive peptide annotation.

Number of Residues 7

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@](C)(O)[C@]([H])(NC(=O)[C@]([H])(CC(O)=O)NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@@]([H])(N)C(C)C)C(=O)N[C@@]([H])(CC(O)=O)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(CCCCN)C(O)=O InChI=1S/C38H60N8O14/c1-18(2)14-24(44-36(57)30(40)19(3)4)32(53)43-27(17-29(51)52)35(56)46-31(20(5)47)37(58)45-26(16-28(49)50)34(55)42-25(15-21-9-11-22(48)12-10-21)33(54)41-23(38(59)60)8-6-7-13-39/h9-12,18-20,23-27,30-31,47-48H,6-8,13-17,39-40H2,1-5H3,(H,41,54)(H,42,55)(H,43,53)(H,44,57)(H,45,58)(H,46,56)(H,49,50)(H,51,52)(H,59,60)/t20-,23+,24+,25+,26+,27+,30+,31+/m1/s1 InChIKey=NHWGJDKVDDBRRV-DPSUHZEXSA-N

Number_of_Residues

7