BIOPEP-UWM: Report

ID 201
Name Antithrombotic peptide
sequence
EQLSTSEENSK

Function:
Predicted ligand of Thrombin (EC 3.4.21.5) (MEROPS ID: S01.217) (PDB code: 2BVR)
 
Number of residues
11
Activity code
at
Activity :
antithrombotic
Chemical mass 1251.2515 Monoisotopic mass 1250.5606
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])(CCC(=O)N)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCCCN)C(=O)O

InChI=1S/C49H82N14O24/c1-21(2)16-28(58-41(78)24(8-11-33(52)68)54-39(76)23(51)7-12-35(70)71)43(80)61-32(20-66)47(84)63-38(22(3)67)48(85)62-31(19-65)45(82)56-25(9-13-36(72)73)40(77)55-26(10-14-37(74)75)42(79)59-29(17-34(53)69)44(81)60-30(18-64)46(83)57-27(49(86)87)6-4-5-15-50/h21-32,38,64-67H,4-20,50-51H2,1-3H3,(H2,52,68)(H2,53,69)(H,54,76)(H,55,77)(H,56,82)(H,57,83)(H,58,78)(H,59,79)(H,60,81)(H,61,80)(H,62,85)(H,63,84)(H,70,71)(H,72,73)(H,74,75)(H,86,87)/t22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,38+/m1/s1

InChIKey=JHQQIJFSYLJNKV-UYKNRONHSA-N


Bioactivity predicted using molecular docking



Database reference:
DFBP: ID DFBPANTH0140