TPDB

TPDB ID TPDB77556

Peptide_Name

[Met(O)67]-(cocaine

Activity

Blood-Brain Barrier

Activity_category_statistics

Delivery and barrier-penetrating peptides

Database_Source

Peptipedia

Sequence_Type

modified_plain

Has_Modification Yes

Description A 51-aa modified blood-brain barrier peptide sequence curated from Peptipedia, without an available 3D structural model.

Modification

Chemical: Cys14-Cys32 Cys20-Cys40 Cys34-Cys47

Sequence

VPIYEKKYGQVPM(O)CDAGEQCAVRKGARIGKLCDCPRGTSCNSFLLKCL

FASTA

>TPDB77556|Blood-Brain Barrier|length=51
VPIYEKKYGQVPM(O)CDAGEQCAVRKGARIGKLCDCPRGTSCNSFLLKCL

Formula C225H371N65O65S7

Absent Amino Acids HW

Common Amino Acids C

Mass 5251.24

PI 8.57

Basic Residues 8

Acidic Residues 4

Hydrophobic Residues 16

Net Charge +4

Boman Index 9.42

Hydrophobicity -0.143

Aliphatic Index 68.82

Half Life

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

Extinction Coefficient Cystines 3355

Absorbance 280nm 63.89

Polar Residues 14

number

3

A

3

R

1

N

2

D

6

C

2

E

2

Q

5

G

0

H

2

I

4

L

5

K

1

M

1

F

3

P

2

S

1

T

0

W

2

Y

3

V

Amino Acid Distribution

A: 3 R: 3 N: 1 D: 2 C: 6 E: 2 Q: 2 G: 5 H: 0 I: 2 L: 4 K: 5 M: 1 F: 1 P: 3 S: 2 T: 1 W: 0 Y: 2 V: 3

Length

51

Formula

C225H371N65O65S7

Mass

5251.24

PI

8.57

Net Charge

+4

Boman Index

9.42

Hydrophobicity

-0.143

Chemical_Modification

Cys14-Cys32 Cys20-Cys40 Cys34-Cys47

Conformation

Linear

Peptide_Length

Similarity

Peptide_Sequence_3Letter

Val-Pro-Ile-Tyr-Glu-Lys-Lys-Tyr-Gly-Gln-Val-Pro-Met(O)-Cys-Asp-Ala-Gly-Glu-Gln-Cys-Ala-Val-Arg-Lys-Gly-Ala-Arg-Ile-Gly-Lys-Leu-Cys-Asp-Cys-Pro-Arg-Gly-Thr-Ser-Cys-Asn-Ser-Phe-Leu-Leu-Lys-Cys-Leu

Evidence 1 Activity

Activity

Detail Source Activity Blood-Brain Barrier

Activity Result 27.4 min

Assay & Model

In Vitro Method Efflux study ICU

Animal Model Origin/Source

Response half life, brain

Source & Reference

Database Source NA

Source B3Pdb

Other

Source Origin rat

Transport Type Permeability

Label Direct iodination

Evidence 2 Activity

Activity

Detail Source Activity Blood-Brain Barrier

Activity Result 0.026 min-1

Assay & Model

In Vitro Method Efflux study ICU

Animal Model Origin/Source

Response Brain elemination rate constant

Source & Reference

Database Source NA

Source B3Pdb

Other

Source Origin rat

Transport Type Permeability

Label Direct iodination

Evidence 3 Activity

Activity

Detail Source Activity Blood-Brain Barrier

Activity Result 83.40%

Assay & Model

In Vitro Method Capillary depletion

Animal Model Origin/Source

Response % parenchyma

Source & Reference

Database Source NA

Source B3Pdb

Other

Source Origin rat

Label Direct iodination

Evidence 4 Activity

Activity

Detail Source Activity Blood-Brain Barrier

Activity Result 16.60%

Assay & Model

In Vitro Method Capillary depletion

Animal Model Origin/Source

Response % capillary

Source & Reference

Database Source NA

Source B3Pdb

Other

Source Origin rat

Label Direct iodination

Evidence 5 Activity

Activity

Detail Source Activity Blood-Brain Barrier

Activity Result -1.92

Assay & Model

In Vitro Method Shake Flask

Animal Model Origin/Source

Response Log P

Source & Reference

Database Source NA

Source B3Pdb

Other

Source Origin rat

Label Direct iodination

Evidence 6 Activity

Activity

Detail Source Activity Blood-Brain Barrier

Activity Result 0.00051 mL/(g x min)

Assay & Model

Animal Model Origin/Source

Response Unidirectional influx rate constant

Source & Reference

Database Source NA

Source B3Pdb

Other

Source Origin rat

In Vivo Mode of Delivery Intravenous

Transport Type non saturable

Label Direct iodination

In_Vivo_Mode_of_Delivery

Intravenous