BIOPEP-UWM: Report

ID 199
Name Antithrombotic peptide
sequence
TKLTEEEKNR

Function:
Predicted ligand of Thrombin (EC 3.4.21.5) (MEROPS ID: S01.217) (PDB code: 2BVR)
 
Number of residues
10
Activity code
at
Activity :
antithrombotic
Chemical mass 1247.3519 Monoisotopic mass 1246.6496
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])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C51H90N16O20/c1-24(2)22-33(65-42(78)28(11-6-8-20-53)62-48(84)39(55)25(3)68)47(83)67-40(26(4)69)49(85)63-31(15-18-38(75)76)45(81)61-30(14-17-37(73)74)44(80)60-29(13-16-36(71)72)43(79)59-27(10-5-7-19-52)41(77)66-34(23-35(54)70)46(82)64-32(50(86)87)12-9-21-58-51(56)57/h24-34,39-40,68-69H,5-23,52-53,55H2,1-4H3,(H2,54,70)(H,59,79)(H,60,80)(H,61,81)(H,62,84)(H,63,85)(H,64,82)(H,65,78)(H,66,77)(H,67,83)(H,71,72)(H,73,74)(H,75,76)(H,86,87)(H4,56,57,58)/t25-,26-,27+,28+,29+,30+,31+,32+,33+,34+,39+,40+/m1/s1

InChIKey=WBKGSOYWTWDZFS-HHCHZZQXSA-N


Bioactivity predicted using molecular docking



Database reference:
DFBP: ID DFBPANTH0139