dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp02300

General Description

Peptide name : Carrier domain-containing protein

Source/Organism : Streptomyces sp. VN1

Linear/Cyclic : Cyclic

Chirality : L

Sequence Information

Sequence : MTRPGPAVRDGRPAPDAAGPATAPATYAQERAWLASRLAHDPPTYCAVDEFPLHAAVTANDLVHALYVLMDRHEPLRTVLRTVDGRLRQEVHPRPEPRIELTDLRAHDHAAQAEERRSLRARLARTPFDPHRAPQWRAAVLNLGEGAWSVVFAAHHTVYDTASGFNVHAELTELCAAAEEGREARLPRLPLGYGAYARRERERARTGGADAAAAHWRTRLRGLPPVHTVPLDRPRPPARTFRGAEVRAALPVGVTAALTGAARHHGTRPVMLFLAAWTALLHHHSGAADLAVGLPVAGRDDPATRAMVGTFVnMRVLRADLSGDPDGTELVRRTTAAVRAGEKFDIPFQSLVELLAAPRLPGVPPLYQLAFNHTPADGLGPPVSSCEEDLLLDVAGSGLRLVYDAALFDRSTADLLLADYLRLLAALLDAPGTRLSALLTGPAPRGTPRPAPTAPRARTAPRDAAEERVAAVWRTLLGTDGGTVDVHEDFFTAGGHSLQALRLLARLAPARGSGPTLRTFFADPTVAGLATALKSTPDGRTAWR

Peptide length: 544

C-terminal modification: Cyclic

N-terminal modification : Not found

Non-natural peptide information: None

Activity Information

Assay type : Cytotoxicity assay

Assay time : 72h

Activity : IC50 : 123.7 µM

Cell line : HCT116

Cancer type : Colon cancer

Other activity : Not found

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 58439.687 Dalton

Aliphatic index : 0.868

Instability index : 38.9443

Hydrophobicity (GRAVY) : -0.207

Isoelectric point : 9.4825

Charge (pH 7) : 7.3981

Aromaticity : 0.057

Molar extinction coefficient (cysteine, cystine): (51910, 52035)

Hydrophobic/hydrophilic ratio : 1.44594594

hydrophobic moment : -0.099

Missing amino acid : None

Most occurring amino acid : A

Most occurring amino acid frequency : 95

Least occurring amino acid : n

Least occurring amino acid frequency : 1

Structural Information

3D structure : Not Available

Secondary structure fraction (Helix, Turn, Sheet): (0.3, 0.2, 0.3)

SMILES Notation: 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O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O

Secondary Structure :

Method Prediction
GOR ECCCCCCEETTCCCCCCTCCCCCCHHHHHHHHHHHHHTTCCCCCCCEHTTCHHHHHHHHHHHHHHHHEEHHTTCTHHEEEEEETHHEHETTCCCCCTHHHHHHHHHHHHHHHHHHHHHHHHHHTTCCCCCCCCTHHHHHHEEHTTTHHHHEHHHHEEEEECTTTCHHHHTHHHHHHHHHHHHHHHCTTCTTTCCCHHHHHHHHHHTTCHHHHHHHHHHHETTCCCEEECCCCCCCCTTCEEHHHHHHHHCEEEEEEHHHHHHHTTTCCCEEEHHHHHHHHHHHHTTCHHHEEECCEECCCCTHHHHEEEEEHHHHHHHETTTCCCTCCEEEEEHHHHHHHTTHHCCHHHHHHHHHHCTCCTTCCCCEEEEETCCCCTTCCCCCTTTTHHHHEHHTTTTEEEEEHHHHHHHTTTHHHHHHHHHHHHHHETCTCCEEEEEECCCCCTCCCCCCCCCCHHTCCCHHHHHHHHHHHHHEEEECCTCEEEEHHHHEEHTCCCHHHHHHHHHHCCTTTTCCCEEEEECCCCHHHHHHEETCCCTTCEEEE
Chou-Fasman (CF) CCCCCCCCCCCCCCCCCCCHHHHCCCHHHHHHHHHHHHHCCCEEEHHHHHHHHHHHCCCCHHHHEEEHHHHHHHEEEEEEEEECCHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHCHHHHHCHHHHHCEEEEHHHHEEEEECCCCEEHHHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHCCCCHHHHHHHEEEECCCCCCEEEEECCCCCCCCCEEHHHHHHHHHEEEECCCEEHHHHCCCCEEEEHHHHHHCHHHHHCCHHHHHEEEECCCCCCCCCHHHHEEEEEEEEEHHHHCCCCCCCCCCEEEEHHHHCHHHHHEEECEEHHHHHHHHCCCCCCCEEHHHHCCCCCCCCCCCEECHHHHHHCCCCCCCCEEEEHHHHHCCCCHHHHHHHHCHHHHHHHHCCCEEHHHHCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCEEEEEEECCCEEEEHHHHEEECCCCHHHHHHHHHHHHHCCCCCCEEEEECCCEEEECCHHHHCCCCCCCEECCC
Neural Network (NN) CCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCCEEEEECCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHHHCCCCHHHHEHHHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHCCCCHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHCCCCCHHHHCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCCCEEEEHHCHHHHCCCCCCCCCHHHHHHHCCCCCCCCCCCCEECCCCCCCCCCCCCCCCCCHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHEECCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHEECCCCCCCEEECCCCHHHCCCHHHHHHHHHHCCCCCCCCCCCEEECCCCCHHHHHHHCCCCCCCCCEEC
Joint/Consensus CCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCCCCEEEEEECCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHHCCCCHHHHHHHHEEEECCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHCCCCCHHHHHHHHHHCCCCCCCEEECCCCCCCCCCCCCHHHHHHHHCEEECCCHHHHHHHCCCCCCCHHHHHHHHHHHHHCCCCCCCEEECCCCCCCCCHHHHEEEEEHHHHHHHCCCCCCCCCCEEEEEHHHHHHHCCCCCCCCHHHHHHHHCCCCCCCCCCCEECCCCCCCCCCCCCCCCCCHHHHCCCCCCCEEEEHHHHHHHHCHHHHHHHHHHHHHHHHHCCCCCCCEECCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHEEECCCCCEEEECCCCCCCCCCHHHHHHHHHHHCCCCCCCCCEEEECCCCCHHHHHHHCCCCCCCCEEEC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Not available.

ADMET Properties: Not available.

Cross Referencing databases

Pubmed Id : 32019976

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID : Not available

Reference

1 : Nguyen HT, et al. Streptomyces sp. VN1, a producer of diverse metabolites including non-natural furan-type anticancer compound. Sci Rep. 2020; 10:1756. doi: 10.1038/s41598-020-58623-1

Literature

Paper title : Streptomyces sp. VN1, a producer of diverse metabolites including non-natural furan-type anticancer compound.

Doi : https://doi.org/10.1038/s41598-020-58623-1

Abstract : Streptomyces sp. VN1 was isolated from the coastal region of Phu Yen Province (central Viet Nam). Morphological, physiological, and whole genome phylogenetic analyses suggested that strain Streptomyces sp. VN1 belonged to genus Streptomyces. Whole genome sequencing analysis showed its genome was 8,341,703 base pairs in length with GC content of 72.5%. Diverse metabolites, including cinnamamide, spirotetronate antibiotic lobophorin A, diketopiperazines cyclo-L-proline-L-tyrosine, and a unique furan-type compound were isolated from Streptomyces sp. VN1. Structures of these compounds were studied by HR-Q-TOF ESI/MS/MS and 2D NMR analyses. Bioassay-guided purification yielded a furan-type compound which exhibited in vitro anticancer activity against AGS, HCT116, A375M, U87MG, and A549 cell lines with IC<sub>50</sub> values of 40.5, 123.7, 84.67, 50, and 58.64 µM, respectively. In silico genome analysis of the isolated Streptomyces sp. VN1 contained 34 gene clusters responsible for the biosynthesis of known and/or novel secondary metabolites, including different types of terpene, T1PKS, T2PKS, T3PKS, NRPS, and hybrid PKS-NRPS. Genome mining with HR-Q-TOF ESI/MS/MS analysis of the crude extract confirmed the biosynthesis of lobophorin analogs. This study indicates that Streptomyces sp. VN1 is a promising strain for biosynthesis of novel natural products.