BIOPEP-UWM: Report

ID 200
Name Antithrombotic peptide
sequence
ALNEINQFYQK
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 1367.5018 Monoisotopic mass 1366.6859
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])(CC(C)C)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCCCN)C(=O)O

InChI=1S/C62H94N16O19/c1-6-32(4)51(78-55(89)39(21-24-50(84)85)71-59(93)44(29-48(67)82)76-56(90)41(26-31(2)3)73-52(86)33(5)64)61(95)77-45(30-49(68)83)60(94)70-38(20-23-47(66)81)54(88)74-42(27-34-12-8-7-9-13-34)58(92)75-43(28-35-15-17-36(79)18-16-35)57(91)69-37(19-22-46(65)80)53(87)72-40(62(96)97)14-10-11-25-63/h7-9,12-13,15-18,31-33,37-45,51,79H,6,10-11,14,19-30,63-64H2,1-5H3,(H2,65,80)(H2,66,81)(H2,67,82)(H2,68,83)(H,69,91)(H,70,94)(H,71,93)(H,72,87)(H,73,86)(H,74,88)(H,75,92)(H,76,90)(H,77,95)(H,78,89)(H,84,85)(H,96,97)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,51-/m0/s1

InChIKey=OBGALKJTIIOKLW-LHVJYZTOSA-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 7805); the DFBP database; the EROP-Moscow database


Database reference:
AHTPDB: ID 2471, 5838, 6708

BIOPEP-UWM database of bioactive peptides: ID 7805

DFBP: ID DFBPACEI1683; DFBPANTH0141

EROP-Moscow: ID E07430

FeptideDB: ID 7805

SATPdb: ID satpdb24949