BIOPEP-UWM: Report

ID 221
Name Antithrombotic peptide
sequence
AVPYPQR
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 829.9404 Monoisotopic mass 829.4433
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)C(=O)N[C@@]([H])(C(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C38H59N11O10/c1-20(2)30(47-31(52)21(3)39)36(57)49-18-6-9-28(49)34(55)46-26(19-22-10-12-23(50)13-11-22)35(56)48-17-5-8-27(48)33(54)44-24(14-15-29(40)51)32(53)45-25(37(58)59)7-4-16-43-38(41)42/h10-13,20-21,24-28,30,50H,4-9,14-19,39H2,1-3H3,(H2,40,51)(H,44,54)(H,45,53)(H,46,55)(H,47,52)(H,58,59)(H4,41,42,43)/t21-,24-,25-,26-,27-,28-,30-/m0/s1

InChIKey=GIQZFLZPSASIEJ-YYNHRMGXSA-N


Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the BIOPEP-UWM database of bioactive peptides (ID 3480)
Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 10248)
Lipoxygenase inhibitor according to the BIOPEP-UWM database of bioactive peptides (ID 7875)
Iron chelating peptide according to the BIOPEP-UWM database of bioactive peptides (ID 10079); the PubChem database


Bioactivity predicted using molecular docking


Database reference:
AHTPDB: ID 1126, 1657, 1732, 3393, 3604, 3612, 4067, 4144, 4269, 5031, 5558, 5844, 5902, 6400

BioPepDB: ID biopep00091

BIOPEP-UWM database of bioactive peptides: ID 3480; 7875; 10079; 10248

ChemSpider: ID 58809163

DFBP: ID DFBPACEI0272; DFBPANOX0126; DFBPANTH0164; DFBPMUFU0084

EROP-Moscow: ID E07426

FeptideDB: ID 3480; 7875

FermFooDB: ID FMDB16; FMDB1747; FMDB1748; FMDB1749; FMDB1750

MBPDB: Peptide AVPYPQR

PubChem: CID 14054420

SATPdb: ID satpdb12575