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MYP_120963
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Basic Information
Ac-S3
Antimicrobial
Antimicrobial ▸ Antibacterial
Toxicity / Safety ▸ Blood cell toxicity ▸ Hemolysis ▸ Hemolytic
Standard
7 amino acids
C41H69N11O8
Standard
Sequence
KAWKLAK
Physicochemical Analysis
844.06 Da
10.30
2.76
2.55
0.3939
-0.74
0.64
-0.20
-3.56
84.29
0.1429
5500.00
5500.00
The radar chart summarizes major physicochemical dimensions for quick comparison, while exact numerical values remain listed on the left.
Residue Composition
Amino Acid Composition
Chemical Descriptors
331.77
-0.50
12.0
11.0
29.0
60.0
2.0
6.0
Structural Visualization
3D PDB MODEL
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2D CHEMICAL STRUCTURE
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Experimental Records
RECORD: Rec_0076410 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
32630
Structure & Mods
hydrocarbon-stapled side-chain cyclic peptide [Cyclic]
canonical L-amino-acid peptide [L]
Acetylation
Amidation
The Ⓧ (position: 2 and 6) in sequence indicates (S)-α-methyl, α-pentenylglycine. Note: the Experimental section presenst that X is (S)-α-methyl, α-pentenylglycine, while the Results section presents that X is pentenylalanine. We incline to the former representation according to previous papers published by the research group which the author belonged. Ⓧ (2) and Ⓧ (6) are cross-linked by hydrocarbon stapling through an oct-4-enyl hydrocarbon staple
Bio-Activity Profile
Antimicrobial Antibacterial
Salmonella typhimurium ATCC 14028
50 μM
MIC
PaperThuy T.T. Dinh, Do-Hee Kim, Song-Jin Lee, Young-Woo Kim. De Novo Design and Their Antimicrobial Activity of Stapled Amphipathic Helices of Heptapeptides. B KOREAN CHEM SOC Evidence URLhttps://dramp.cpu-bioinfor.org/browse/Specific_information.php?dataset=Specific&id=DRAMP21609
RECORD: Rec_0076820 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
32630
Structure & Mods
hydrocarbon-stapled side-chain cyclic peptide [Cyclic]
canonical L-amino-acid peptide [L]
Acetylation
Amidation
The Ⓧ (position: 2 and 6) in sequence indicates (S)-α-methyl, α-pententylglycine. Ⓧ (2) and Ⓧ (6) are cross-linked by hydrocarbon stapling through an oct-4-enyl hydrocarbon staple
Bio-Activity Profile
Hemolytic
human red blood cells
12.5 μM
Hemolysis
PaperThuy T.T. Dinh, Do-Hee Kim, Thang Q. Nguyen, Bong-Jin Lee, Young-Woo Kim. N-Capping Effects of Stapled Heptapeptides on Antimicrobial and Hemolytic Activities. B KOREAN CHEM SOC. 2015 Oct;36(10)2511-2515. Evidence URLhttps://doi.org/10.1002/bkcs.10483
RECORD: Rec_0080032 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
32630
Structure & Mods
hydrocarbon-stapled side-chain cyclic peptide [Cyclic]
canonical L-amino-acid peptide [L]
None
Amidation
The Ⓧ (position: 2 and 6) in sequence indicates (S)-α-methyl, α-pententylglycine. Ⓧ (2) and Ⓧ (6) are cross-linked by hydrocarbon stapling through an oct-4-enyl hydrocarbon staple
Bio-Activity Profile
Hemolytic
human red blood cells
25.0 μM
Hemolysis
PaperThuy T.T. Dinh, Do-Hee Kim, Thang Q. Nguyen, Bong-Jin Lee, Young-Woo Kim. N-Capping Effects of Stapled Heptapeptides on Antimicrobial and Hemolytic Activities. B KOREAN CHEM SOC. 2015 Oct;36(10)2511-2515. Evidence URLhttps://doi.org/10.1002/bkcs.10483
RECORD: Rec_0085658 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
32630
Structure & Mods
hydrocarbon-stapled side-chain cyclic peptide [Cyclic]
canonical L-amino-acid peptide [L]
Acetylation
Amidation
The Ⓧ (position: 2 and 6) in sequence indicates (S)-α-methyl, α-pententylglycine. Ⓧ (2) and Ⓧ (6) are cross-linked by hydrocarbon stapling through an oct-4-enyl hydrocarbon staple
Bio-Activity Profile
Hemolytic
human red blood cells
50.0 μM
Hemolysis
PaperThuy T.T. Dinh, Do-Hee Kim, Thang Q. Nguyen, Bong-Jin Lee, Young-Woo Kim. N-Capping Effects of Stapled Heptapeptides on Antimicrobial and Hemolytic Activities. B KOREAN CHEM SOC. 2015 Oct;36(10)2511-2515. Evidence URLhttps://doi.org/10.1002/bkcs.10483
RECORD: Rec_0088311 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
32630
Structure & Mods
hydrocarbon-stapled side-chain cyclic peptide [Cyclic]
canonical L-amino-acid peptide [L]
None
Amidation
The Ⓧ (position: 2 and 6) in sequence indicates (S)-α-methyl, α-pentenylglycine. Ⓧ (2) and Ⓧ (6) are cross-linked by hydrocarbon stapling through an oct-4-enyl hydrocarbon staple
Bio-Activity Profile
Antimicrobial Antibacterial
Klebsiella pneumoniae
18.8 μg/mL
MIC
PaperHuy X Luong, Do-Hee Kim, Ngoan T Mai, Bong-Jin Lee, Young-Woo Kim. Mono-substitution effects on antimicrobial activity of stapled heptapeptides. Arch Pharm Res. 2017 Jun;40(6):713-719. Epub 2017 May 25. PMID28547390 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/28547390/
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