BIOPEP-UWM: Report

ID 206
Name Antithrombotic peptide
sequence
HIQKEDVPSER
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 1337.4346 Monoisotopic mass 1336.6714
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](CC1=CN=C[NH]1)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCCCN)C(=O)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/C56H92N18O20/c1-5-28(4)44(73-45(83)30(58)22-29-24-62-26-64-29)53(91)68-32(13-16-39(59)76)47(85)65-31(10-6-7-19-57)46(84)66-34(15-18-41(79)80)49(87)70-36(23-42(81)82)50(88)72-43(27(2)3)54(92)74-21-9-12-38(74)52(90)71-37(25-75)51(89)67-33(14-17-40(77)78)48(86)69-35(55(93)94)11-8-20-63-56(60)61/h24,26-28,30-38,43-44,75H,5-23,25,57-58H2,1-4H3,(H2,59,76)(H,62,64)(H,65,85)(H,66,84)(H,67,89)(H,68,91)(H,69,86)(H,70,87)(H,71,90)(H,72,88)(H,73,83)(H,77,78)(H,79,80)(H,81,82)(H,93,94)(H4,60,61,63)/t28-,30-,31-,32-,33-,34-,35-,36-,37-,38-,43-,44-/m0/s1

InChIKey=ZVYGFUKOHQGXSX-UEKIRPJUSA-N


Bioactivity predicted using molecular docking


Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9559)


Database reference:
BIOPEP-UWM database of bioactive peptides: ID 9559

DFBP: ID DFBPANTH0148