BIOPEP-UWM: Report

ID 216
Name Antithrombotic peptide
sequence
HKEMPFPK

Function:
Predicted ligand of Thrombin (EC 3.4.21.5) (MEROPS ID: S01.217) (PDB code: 2BVR)
 
Number of residues
8
Activity code
at
Activity :
antithrombotic
Chemical mass 1013.2116 Monoisotopic mass 1012.5148
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])(CCCCN)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCSC)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCCN)C(=O)O

InChI=1S/C47H72N12O11S/c1-71-24-19-34(55-42(64)33(17-18-39(60)61)54-41(63)32(13-5-7-20-48)53-40(62)31(50)26-30-27-51-28-52-30)45(67)58-22-9-16-38(58)44(66)57-36(25-29-11-3-2-4-12-29)46(68)59-23-10-15-37(59)43(65)56-35(47(69)70)14-6-8-21-49/h2-4,11-12,27-28,31-38H,5-10,13-26,48-50H2,1H3,(H,51,52)(H,53,62)(H,54,63)(H,55,64)(H,56,65)(H,57,66)(H,60,61)(H,69,70)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1

InChIKey=PBQBGPKBTHCYMQ-QSVFAHTRSA-N

Bioactivity predicted using molecular docking



Database reference:
DFBP: DFBPANTH0158