BIOPEP-UWM: Report

ID 220
Name Antihrombotic peptide
sequence
GPFPIIV
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 741.9148 Monoisotopic mass 741.4411
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: NCC(=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])([C@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(C(C)C)C(=O)O

InChI=1S/C38H59N7O8/c1-7-23(5)31(36(50)43-32(24(6)8-2)35(49)41-30(22(3)4)38(52)53)42-34(48)28-17-13-19-45(28)37(51)26(20-25-14-10-9-11-15-25)40-33(47)27-16-12-18-44(27)29(46)21-39/h9-11,14-15,22-24,26-28,30-32H,7-8,12-13,16-21,39H2,1-6H3,(H,40,47)(H,41,49)(H,42,48)(H,43,50)(H,52,53)/t23-,24-,26-,27-,28-,30-,31-,32-/m0/s1

InChIKey: VBXAFDSUVWHGGB-LWAQOXNASA-N


Bioactivity predicted using molecular docking

Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database; the BIOPEP-UWM database of bioactive peptides (ID 8159); the DFPB database

Bitter peptide according to BIOPEP-UWM database of sensory peptides and amino acids (ID 460)


Database reference:
AHTPDB: ID 1806, 6754

BioPepDB: ID biopep00385

BIOPEP-UWM database of bioactive peptides: ID 8159

BIOPEP-UWM database of sensory peptides and amino acids: ID 460

BIOPE-UWM Virtual database: ID 220

CAS: Registry No 75922-52-0

ChemSpider: ID 9882264

DFBP: ID DFBPACEI0859; DFBPANTH0163; DFBPMUFU0184

EPACompTox: ID DTXSID40470900

EROP-Moscow: ID E14527

FeptideDB: ID 8159

J-GLOBAL: ID 200907034717127309

Nikkaji: ID J1.075.678B

PubChem: CID 11707541

SatpDB: ID satpdb12352