TPDB

3D PDB MODEL

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TPDB ID TPDB46943

Peptide_Name

human beta-casein fr. 50-61

Activity

ACE inhibitors Antihypertensive

Activity_category_statistics

Cardiometabolic peptides

Database_Source

pep-lab Peptipedia AHTPDB AHTpin

Sequence_Type

standard

Has_Modification No

Description A 12-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

HPFAQTQSLVYP

FASTA

>TPDB46943|ACE inhibitors;Antihypertensive|length=12
HPFAQTQSLVYP

Formula C65H94N16O18

Absent Amino Acids RNDCEGIKMW

Common Amino Acids QP

Mass 1387.56

PI 7.77

Basic Residues 1

Acidic Residues 0

Hydrophobic Residues 5

Net Charge +0

Boman Index 0.56

Hydrophobicity -0.300

Aliphatic Index 65.00

Half Life

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

Extinction Coefficient Cystines 1490

Absorbance 280nm 107.38

Polar Residues 5

number

1

A

0

R

0

N

0

D

0

C

0

E

2

Q

0

G

1

H

0

I

1

L

0

K

0

M

1

F

2

P

1

S

1

T

0

W

1

Y

1

V

Amino Acid Distribution

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

Length

12

Formula

C65H94N16O18

Mass

1387.56

PI

7.77

Net Charge

+0

Boman Index

0.56

Hydrophobicity

-0.300

Chemical_Mass

1387.5345

Monoisotopic_Mass

1386.6910

Evidence 1 Activity

Activity

Activity Endpoint EC50

Detail Source Activity ACE inhibitors

Activity Measurement 26.00 µM

Function Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: XM02-001)

Detail Activity ACE inhibitor

Activity Code ah

Source & Reference

Database Source NA

Authors Kohmura M., Nio N., Ariyoshi Y.

Title

Inhibition of angiotensin-converting enzyme by synthetic peptide fragments of various beta-caseins. Agric. Biol. Chem., 54, 1101-1102, 1990

Year 1990

Literature Source Journal

Other

Number of Residues 12

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@](N)(CC1=CN=CN1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(N)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@]([H])(CCC(N)=O)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N1CCC[C@@]1([H])C(O)=O InChI=1S/C65H94N16O18/c1-33(2)26-44(58(91)78-52(34(3)4)61(94)76-46(28-38-16-18-40(84)19-17-38)64(97)81-25-11-15-49(81)65(98)99)74-59(92)47(31-82)77-55(88)42(20-22-50(67)85)73-62(95)53(36(6)83)79-56(89)43(21-23-51(68)86)72-54(87)35(5)71-57(90)45(27-37-12-8-7-9-13-37)75-60(93)48-14-10-24-80(48)63(96)41(66)29-39-30-69-32-70-39/h7-9,12-13,16-19,30,32-36,41-49,52-53,82-84H,10-11,14-15,20-29,31,66H2,1-6H3,(H2,67,85)(H2,68,86)(H,69,70)(H,71,90)(H,72,87)(H,73,95)(H,74,92)(H,75,93)(H,76,94)(H,77,88)(H,78,91)(H,79,89)(H,98,99)/t35-,36+,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-/m0/s1 InChIKey=UMJJMCBSZUDHHK-GDKKIJHFSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: XM02-001

Evidence 2 Activity

Activity

Activity Endpoint EC50

Detail Source Activity Antihypertensive

Activity Measurement 26.00 µM

Function Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: XM02-001)

Detail Activity ACE inhibitor

Activity Code ah

Source & Reference

Database Source AHTPDB

Authors Kohmura M., Nio N., Ariyoshi Y.

Title

Inhibition of angiotensin-converting enzyme by synthetic peptide fragments of various beta-caseins. Agric. Biol. Chem., 54, 1101-1102, 1990

Year 1990

Literature Source Journal

Other

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

Number of Residues 12

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@](N)(CC1=CN=CN1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(N)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@]([H])(CCC(N)=O)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N1CCC[C@@]1([H])C(O)=O InChI=1S/C65H94N16O18/c1-33(2)26-44(58(91)78-52(34(3)4)61(94)76-46(28-38-16-18-40(84)19-17-38)64(97)81-25-11-15-49(81)65(98)99)74-59(92)47(31-82)77-55(88)42(20-22-50(67)85)73-62(95)53(36(6)83)79-56(89)43(21-23-51(68)86)72-54(87)35(5)71-57(90)45(27-37-12-8-7-9-13-37)75-60(93)48-14-10-24-80(48)63(96)41(66)29-39-30-69-32-70-39/h7-9,12-13,16-19,30,32-36,41-49,52-53,82-84H,10-11,14-15,20-29,31,66H2,1-6H3,(H2,67,85)(H2,68,86)(H,69,70)(H,71,90)(H,72,87)(H,73,95)(H,74,92)(H,75,93)(H,76,94)(H,77,88)(H,78,91)(H,79,89)(H,98,99)/t35-,36+,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-/m0/s1 InChIKey=UMJJMCBSZUDHHK-GDKKIJHFSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: XM02-001

Number_of_Residues

12