Peptide

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Enterocin B

Basic information

CPKB ID CP03177
Source

Enterococcus faecium [Division : Bacteria]

Taxonomy :1352 (Unassigned-Bacillota-Lactobacillales-Bacilli-Enterococcaceae Enterococcus)  

Wikipedia: Enterococcus faecium

DRAMP3  

Family

Bacterial   Class IID Bacteriocin   DRAMP3  

Function

Anti-Bacterial   Anti-Gram+   Anti-Microbial   DRAMP3  

Legend

Structure

Download structure
2D img
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similarity structure
Molecular Formula

C236H376N74O69S3
Molecular Weight 5144.575990008 g/mol
SMILES

RUN SEA Predictions

 CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC1=O  

CyclicPepedia|Seq2Struc
InChIKey
KTTJVFGRKJMAHA-PXMIGYHPNA-N
2D Structure
CyclicPepedia|Seq2Struc

Sequence

Graph alignment
Local alignment
One-letter code

ENDHRMPNNLNRPNNLSKGGAKCGIAGGLFGIPKGPLAWGLANVYSKCN

DRAMP3|DRAMP00177
IUPAC Condensed
GLU-ASN-ASP-HIS-ARG-MET-PRO-ASN-ASN-LEU-ASN-ARG-PRO-ASN-ASN-LEU-SER-LYS-GLY-GLY-ALA-LYS-CYS-GLY-ILE-ALA-GLY-GLY-LEU-PHE-GLY-ILE-PRO-LYS-GLY-PRO-LEU-ALA-TRP-GLY-LEU-ALA-ASN-VAL-TYR-SER-LYS-CYS-ASN  

CyclicPepedia|PP
Amino acid chain
GLU--ASN--ASP--HIS--ARG--MET--PRO--ASN--ASN--LEU--ASN--ARG--PRO--ASN--ASN--LEU--SER--LYS--GLY--GLY--ALA--LYS--CYS--GLY--ILE--ALA--GLY--GLY--LEU--PHE--GLY--ILE--PRO--LYS--GLY--PRO--LEU--ALA--TRP--GLY--LEU--ALA--ASN--VAL--TYR--SER--LYS--CYS--ASN  

CyclicPepedia|PP
Graph representation
GLU,ASN,ASP,HIS,ARG,MET,PRO,ASN,ASN,LEU,ASN,ARG,PRO,ASN,ASN,LEU,SER,LYS,GLY,GLY,ALA,LYS,CYS,GLY,ILE,ALA,GLY,GLY,LEU,PHE,GLY,ILE,PRO,LYS,GLY,PRO,LEU,ALA,TRP,GLY,LEU,ALA,ASN,VAL,TYR,SER,LYS,CYS,ASN  

CyclicPepedia|PP

Chemical and Physical Properties

CyclicPepedia|PP

Structure Properties

Property Name Property Value
Exact Mass 5144.575990008
Number of Rings 10.0
Complexity 0.218836565096952
XlogP3 AA -26.2471600000002
Heavy Atom Count 361.0
Hydrogen Bond Donor Count 72.0
Hydrogen Bond Acceptor Count 72.0
Rotatable Bond Count 75.0
Property Name Property Value
Formal Charge 0.0
Refractivity 1298.8373
Rule_of_Five 0.0
Number of Atoms 361.0
Topological Polar Surface Area 2143.09999999999
Refractivity 1298.8373
Veber Rule 0.0
Ghose Filter 0.0
Property Name Property Value
RDKit Fingerprint
11101111111100101111111011111000111001100111010101111011011001101110101111101101111111110010110011110111110101101010011011110111010001011001111101011111110110010101001010111111100111001111100110110110101001001000010110000100010100000101011110011110011111101111001110001110001110101111110000100010111011011111111111010001111100010011111111111110101100010010111101001001101011000010111100101010010101000110100110101111001011110101101001111111111011100100011100010110111000111001100000001110001011110111100100101100111101111110111111011101100110100101111011110110111100101110010111001101000110111100101110111001111010011010100000111011111100111100101111100111111111000110111110111111010111001101011100011011101101100001110111110011111101111111101010001010001110101011101110011000010111111001011010011011011101111010110100101101111010111010011111111101111001110111011100110011010110100101111000011011001101010110111101110110011110011111110001011110101000011110111101010100011001010100001111111011110101000110010000111111111111110111110111001111110001001011010101001110101101100111111011011101110110101101011111111110000001101010100111101111010111011100111011111000101110110110101111011011010011011111100011001101110101001111110111100110011111110111011110011001110111001110101110001010110001111101110101001001011110111101100111101111100001011011111111010011011110110111110010110011111101011111001010000111110101011101100011100111101011111010011011111110101101001011101110111110111101111001110010111111111011000100100100100111111011110101011001110101111111110100010111101000101110100111101011010111100010000011100111101111011010100010110110110100100000111110010010011011010011010111101011100101000110110111111110100100110101000111010111001001100000110111011001011111111110010110100010001010101001111110000011110011111111111100100111111010111111100111111011001011100001010100111111101111010100001101101110011111101101100001011011010111011111001111110110000011111001011111011011101011101001100111101101111100110110010000001011101110010100110000111101000111
Morgan Fingerprint
0100110000110000000100000000100001000000001000010000000000100000110000000000000010000000001000000000010000000100010110010100000010100000000010000001000000000010100000000000000100000000000000000000010000010000000000001000001000000101000000000000000000100100000000010000000000000000000101001100001000000100000000100010000001000101100001110000100000000100000110000000100000000000001000001000010001100000000000000000000000001000000110001001000010000010000000001010000000000000001000000010000000001100000000010001000000000001110000000000000000001000000001010000000000000000000000010010000100000000000000000000000000000000000000010100000000100000000000000010000000000000010101000000000000001000000001100100000000000000010000000010101000100010100000000100000000100011000000010000100000000000100000000100001000000011000000001000000100000000100000000010001001001001000000000000000000100000000000010000011100000000000000000100101000000010000100010000000000000000001001000000000000000000000101011000000101000010000010100000000000010000
MACCS Keys
00000000000000000000000001000000000000000001000000000110000000000100000000100111101111101111110111001100111011110111111111110101110110001111111101111111111111111111110

Sequence Properties

Property Name Property Value
Boman Index 1.40469387755102
Instability 14.8244897959183
Charge 3.9651283931251
Aliphatic Index 69.7959183673469

Manufacturers

Manufacturers Name Value
CreativePeptides
Bayer healthcare pharmaceuticals
Upsher smith laboratories
Merck
Manufacturers Name Value
Apotex
Baxter Healthcare Corp
Pharmasources
Novartis
AstraZeneca

Forecasting tools

Forecasting tools Value
Structure to Sequence
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC1=O
Structure Properties
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC1=O
Sequence to Structure
ENDHRMPNNLNRPNNLSKGGAKCGIAGGLFGIPKGPLAWGLANVYSKCN
Sequence Properties
ENDHRMPNNLNRPNNLSKGGAKCGIAGGLFGIPKGPLAWGLANVYSKCN
Expasy ProtParam Tool ENDHRMPNNLNRPNNLSKGGAKCGIAGGLFGIPKGPLAWGLANVYSKCN
SEA RUN SEA Predictions

Information Source

Reference

Pubmed_ID Title DOI Journal

19071200

 Identification of two suites of cyclotide precursor genes from metallophyte Viola baoshanensis: cDNA sequence variation, alternative RNA splicing and potential cyclotide diversity 10.1016/j.gene.2008.11.005.

Gene

Identification of two suites of cyclotide precursor genes from metallophyte Viola baoshanensis: cDNA sequence variation, alternative RNA splicing and potential cyclotide diversity

Abstract

  • Cyclotides are a novel family of plant-derived defense peptides that are biosynthetically produced via the processing of cyclotide precursor (CP) proteins containing one, two or three cyclotide domains. By screening a cDNA library of Viola baoshanensis roots and using RACE and RT-PCR methods, 23 cDNA clones were identified and then used to deduce full CP proteins containing one (VbCP1S-5), two (VbCP6S), or three (VbCP7S) cyclotide domains. RT-PCR and sequence analyses suggested that VbCP6S were resulted from the alternative splicing of VbCP7S RNA. The significance of VbCP7S RNA splicing is that it provides a mechanism for increasing the diversity of cyclotide expression via the recombination of N-terminal repeat (NTR) regions and cyclotide domains. After analyzing the full endoplasmic reticulum (ER) signals of known and novel CPs associated with RT-PCR tests, three primers encoding the conserved sequence ALVLIATFA, AAFALPA-LA and AAFALPA-AFA were proposed to be more efficient in cloning CP genes than the well-applied primer encoding AAFALPA. Cyclotide sequence analyses indicated that the cDNA clones encoded a variety of Möbius and bracelet cyclotides, which were likely involved in the known bioactivities of cyclotides, and also might play a previously unreported role in mediating the metal tolerance of V. baoshanensis. Overall, this study shows that CP genes are varied in V. baoshanensis and cyclotide expression is subject to transcriptional and post-transcriptional regulation in this plant.