TPDB

3D PDB MODEL

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

TPDB ID TPDB47133

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 10-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

TDQHQDKIYP

FASTA

>TPDB47133|ACE inhibitors;Antihypertensive|length=10
TDQHQDKIYP

Formula C54H81N15O19

Absent Amino Acids ARNCEGLMFSWV

Common Amino Acids DQ

Mass 1244.33

PI 5.10

Basic Residues 2

Acidic Residues 2

Hydrophobic Residues 2

Net Charge -1

Boman Index 4.91

Hydrophobicity -2.020

Aliphatic Index 39.00

Half Life

Mammalian: 7.2 hour Yeast: >20 hour E.coli: >10 hour

Extinction Coefficient Cystines 1490

Absorbance 280nm 119.74

Polar Residues 4

number

0

A

0

R

0

N

2

D

0

C

0

E

2

Q

0

G

1

H

1

I

0

L

1

K

0

M

0

F

1

P

0

S

1

T

0

W

1

Y

0

V

Amino Acid Distribution

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

Length

10

Formula

C54H81N15O19

Mass

1244.33

PI

5.10

Net Charge

-1

Boman Index

4.91

Hydrophobicity

-2.020

Chemical_Mass

1244.3068

Monoisotopic_Mass

1243.5814

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 380.00 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 10

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@@](CCCCN)(NC(=O)[C@]([H])(CC(O)=O)NC(=O)[C@]([H])(CCC(N)=O)NC(=O)[C@]([H])(Cc1cnc[nH]1)NC(=O)[C@]([H])(CCC(N)=O)NC(=O)[C@]([H])(CC(O)=O)NC(=O)[C@@]([H])(N)[C@@H](C)O)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/C54H81N15O19/c1-4-26(2)44(52(85)67-37(20-28-10-12-30(71)13-11-28)53(86)69-19-7-9-38(69)54(87)88)68-47(80)31(8-5-6-18-55)61-49(82)35(22-41(74)75)65-46(79)33(15-17-40(57)73)62-48(81)34(21-29-24-59-25-60-29)64-45(78)32(14-16-39(56)72)63-50(83)36(23-42(76)77)66-51(84)43(58)27(3)70/h10-13,24-27,31-38,43-44,70-71H,4-9,14-23,55,58H2,1-3H3,(H2,56,72)(H2,57,73)(H,59,60)(H,61,82)(H,62,81)(H,63,83)(H,64,78)(H,65,79)(H,66,84)(H,67,85)(H,68,80)(H,74,75)(H,76,77)(H,87,88)/t26-,27+,31-,32-,33-,34-,35-,36-,37-,38-,43-,44-/m0/s1 InChIKey: VTJZYUHCIFXLFY-DKZBFBCOSA-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 380.00 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 10

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: [H][C@@](CCCCN)(NC(=O)[C@]([H])(CC(O)=O)NC(=O)[C@]([H])(CCC(N)=O)NC(=O)[C@]([H])(Cc1cnc[nH]1)NC(=O)[C@]([H])(CCC(N)=O)NC(=O)[C@]([H])(CC(O)=O)NC(=O)[C@@]([H])(N)[C@@H](C)O)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/C54H81N15O19/c1-4-26(2)44(52(85)67-37(20-28-10-12-30(71)13-11-28)53(86)69-19-7-9-38(69)54(87)88)68-47(80)31(8-5-6-18-55)61-49(82)35(22-41(74)75)65-46(79)33(15-17-40(57)73)62-48(81)34(21-29-24-59-25-60-29)64-45(78)32(14-16-39(56)72)63-50(83)36(23-42(76)77)66-51(84)43(58)27(3)70/h10-13,24-27,31-38,43-44,70-71H,4-9,14-23,55,58H2,1-3H3,(H2,56,72)(H2,57,73)(H,59,60)(H,61,82)(H,62,81)(H,63,83)(H,64,78)(H,65,79)(H,66,84)(H,67,85)(H,68,80)(H,74,75)(H,76,77)(H,87,88)/t26-,27+,31-,32-,33-,34-,35-,36-,37-,38-,43-,44-/m0/s1 InChIKey: VTJZYUHCIFXLFY-DKZBFBCOSA-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

10