BIOPEP-UWM: Report

ID 217
Name Antithrombotic peptide
sequence
EDVPSER

Function:
Predicted ligand of Thrombin (EC 3.4.21.5) (MEROPS ID: S01.217) (PDB code: 2BVR)
 
Number of residues
7
Activity code
at
Activity :
antithrombotic
Chemical mass 830.8377 Monoisotopic mass 830.3757
EC50 :
0.00 µM



Bibliographic data:
Authors
Tu M., Feng L., Wang Z., Qiao M., Shahidi F., Lu W., Du M.
Title
Sequence analysis and molecular docking of antithrombotic peptides from casein hydrolysate by trypsin digestion. J. Funct. Foods, 32, 313–323, 2017
Year Source
2017 Journal



Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(C(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C33H54N10O15/c1-15(2)25(42-28(53)19(13-24(49)50)40-26(51)16(34)7-9-22(45)46)31(56)43-12-4-6-21(43)30(55)41-20(14-44)29(54)38-17(8-10-23(47)48)27(52)39-18(32(57)58)5-3-11-37-33(35)36/h15-21,25,44H,3-14,34H2,1-2H3,(H,38,54)(H,39,52)(H,40,51)(H,41,55)(H,42,53)(H,45,46)(H,47,48)(H,49,50)(H,57,58)(H4,35,36,37)/t16-,17-,18-,19-,20-,21-,25-/m0/s1

InChIKey=CUEUUABRKKBDEE-ZMKHKPBZSA-N

Bioactivity predicted using molecular docking



Database reference:
DFBP: DFBPANTH0154