BIOPEP-UWM: Report

ID 209
Name Antithrombotic peptide
sequence
FFVAPFPEVFGK
Function:
Predicted ligand of Thrombin (EC 3.4.21.5) (MEROPS ID: S01.217) (PDB code: 2BVR)
 
Number of residues
12
Activity code
at
Activity :
antithrombotic
Chemical mass 1384.6148 Monoisotopic mass 1383.7204
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=CC=C(C=C1))C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(C)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])(CCC(=O)O)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)NCC(=O)N[C@@]([H])(CCCCN)C(=O)O

InChI=1S/C72H97N13O15/c1-43(2)60(83-65(92)54(40-48-26-14-8-15-27-48)79-62(89)50(74)38-46-22-10-6-11-23-46)68(95)76-45(5)70(97)84-36-20-31-56(84)67(94)81-55(41-49-28-16-9-17-29-49)71(98)85-37-21-32-57(85)66(93)78-51(33-34-59(87)88)64(91)82-61(44(3)4)69(96)80-53(39-47-24-12-7-13-25-47)63(90)75-42-58(86)77-52(72(99)100)30-18-19-35-73/h6-17,22-29,43-45,50-57,60-61H,18-21,30-42,73-74H2,1-5H3,(H,75,90)(H,76,95)(H,77,86)(H,78,93)(H,79,89)(H,80,96)(H,81,94)(H,82,91)(H,83,92)(H,87,88)(H,99,100)/t45-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-/m0/s1

InChIKey: ILZZTQYNTRWQSJ-QUXGTSCRSA-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 7800); the DFBP database; the PepBank database
Anticancer peptide according to the BIOPEP-UWM database of bioactive peptides (ID 8311); the DFBP database


Bitter peptide according to the BIOPEP-UWM database of sensory peptides and amino acids (ID 380); the EROP-Moscow database


Database reference:
AHTPDB: ID 1347, 1656, 3669, 3748, 4272, 5052, 5534, 5550, 5557, 5834, 5846, 6704

BIOPEP-UWM database of bioactive peptides: ID 7800; 8311

BIOPEP-UWM database of sensory peptides and amino acids: ID 380

ChemSpider ID: 17295906

DFBP: ID DFBPANHY0180; DFBPANHY0888; DFBPACEI0331; DFBPANCA0110; DFBPMUFU0097

EROP-Moscow: ID E01836

FeptideDB: ID 7800; 8311

PepBank: Peptide FFVAPFPEVFGK

PubChem: CID 16139402

SATPdb ID: satpdb23541