TPDB

3D PDB MODEL

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TPDB ID TPDB47360

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 15-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

DKIYPSFQPQPLIYP

FASTA

>TPDB47360|ACE inhibitors;Antihypertensive|length=15
DKIYPSFQPQPLIYP

Formula C88H128N18O23

Absent Amino Acids ARNCEGHMTWV

Common Amino Acids P

Mass 1806.09

PI 6.63

Basic Residues 1

Acidic Residues 1

Hydrophobic Residues 6

Net Charge -0

Boman Index 1.12

Hydrophobicity -0.573

Aliphatic Index 78.00

Half Life

Mammalian: 1.1 hour Yeast: 3 min E.coli: >10 hour

Extinction Coefficient Cystines 2980

Absorbance 280nm 165.00

Polar Residues 5

number

0

A

0

R

0

N

1

D

0

C

0

E

2

Q

0

G

0

H

2

I

1

L

1

K

0

M

1

F

4

P

1

S

0

T

0

W

2

Y

0

V

Amino Acid Distribution

A: 0 R: 0 N: 0 D: 1 C: 0 E: 0 Q: 2 G: 0 H: 0 I: 2 L: 1 K: 1 M: 0 F: 1 P: 4 S: 1 T: 0 W: 0 Y: 2 V: 0

Length

15

Formula

C88H128N18O23

Mass

1806.09

PI

6.63

Net Charge

-0

Boman Index

1.12

Hydrophobicity

-0.573

Chemical_Mass

1806.0596

Monoisotopic_Mass

1804.9369

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 107.00 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 Kohmura M., Nio N., Kubo K., Minoshima Y., Munekata E., Ariyoshi Y.

Title

Inhibition of angiotensin-converting enzyme by synthetic peptides of human beta-casein. Agric. Biol. Chem., 53(8), 2107-2114 (1989)

Year 1989

Literature Source Journal

Other

Number of Residues 15

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@](N)(CC(O)=O)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(CCC(N)=O)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CCC(N)=O)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N1CCC[C@@]1([H])C(O)=O InChI=1S/C88H128N18O23/c1-7-49(5)72(101-75(115)57(20-12-13-37-89)93-74(114)56(90)46-71(112)113)82(122)98-62(44-52-25-29-54(108)30-26-52)86(126)105-40-16-23-67(105)81(121)100-64(47-107)78(118)96-61(43-51-18-10-9-11-19-51)76(116)94-58(33-35-69(91)110)84(124)103-38-14-21-65(103)79(119)95-59(34-36-70(92)111)85(125)104-39-15-22-66(104)80(120)97-60(42-48(3)4)77(117)102-73(50(6)8-2)83(123)99-63(45-53-27-31-55(109)32-28-53)87(127)106-41-17-24-68(106)88(128)129/h9-11,18-19,25-32,48-50,56-68,72-73,107-109H,7-8,12-17,20-24,33-47,89-90H2,1-6H3,(H2,91,110)(H2,92,111)(H,93,114)(H,94,116)(H,95,119)(H,96,118)(H,97,120)(H,98,122)(H,99,123)(H,100,121)(H,101,115)(H,102,117)(H,112,113)(H,128,129)/t49-,50-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,72-,73-/m0/s1 InChIKey: MWRSGZAWWSFCCF-INNFGACBSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 107.00 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 AHTPDB

Authors Kohmura M., Nio N., Kubo K., Minoshima Y., Munekata E., Ariyoshi Y.

Title

Inhibition of angiotensin-converting enzyme by synthetic peptides of human beta-casein. Agric. Biol. Chem., 53(8), 2107-2114 (1989)

Year 1989

Literature Source Journal

Other

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

Number of Residues 15

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@](N)(CC(O)=O)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(CCC(N)=O)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CCC(N)=O)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N1CCC[C@@]1([H])C(O)=O InChI=1S/C88H128N18O23/c1-7-49(5)72(101-75(115)57(20-12-13-37-89)93-74(114)56(90)46-71(112)113)82(122)98-62(44-52-25-29-54(108)30-26-52)86(126)105-40-16-23-67(105)81(121)100-64(47-107)78(118)96-61(43-51-18-10-9-11-19-51)76(116)94-58(33-35-69(91)110)84(124)103-38-14-21-65(103)79(119)95-59(34-36-70(92)111)85(125)104-39-15-22-66(104)80(120)97-60(42-48(3)4)77(117)102-73(50(6)8-2)83(123)99-63(45-53-27-31-55(109)32-28-53)87(127)106-41-17-24-68(106)88(128)129/h9-11,18-19,25-32,48-50,56-68,72-73,107-109H,7-8,12-17,20-24,33-47,89-90H2,1-6H3,(H2,91,110)(H2,92,111)(H,93,114)(H,94,116)(H,95,119)(H,96,118)(H,97,120)(H,98,122)(H,99,123)(H,100,121)(H,101,115)(H,102,117)(H,112,113)(H,128,129)/t49-,50-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,72-,73-/m0/s1 InChIKey: MWRSGZAWWSFCCF-INNFGACBSA-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

15