Peptide Database

Peptide NameCrystal structure of the PaaA2-ParE2 antitoxin-toxin complex

Function Ontology

Toxin

Standard StatusStandard

Sequence Length111 amino acids

Chemical FormulaC570H655N167O49S2

DescriptionPDB structure; X-ray @2.671Å

        MGSSHHHHHHSSGLVPRGSHLPVLWLESADTDLDDITSYIARFDIDAAERLWQRLRGCVLPLSEHPYLYPPSDRVPGLREIVAHPNYIILYRVTTSSVEVVNVIHARRQFP
    

Molecular Weight12693.21 Da

Isoelectric Point (pI)6.60

Net Charge (pH 7.0)-1.15

Net Charge (pH 7.4) -1.77

Charge Density (pH 7.0) -0.0103

GRAVY Index-0.26

Hydrophobic Moment 0.11

Boman Index0.02

Instability Index43.63

Aliphatic Index 98.29

Aromaticity 0.1712

Extinction Coeff. Reduced 18450.00

Extinction Coeff. Oxidized 18450.00

The radar chart summarizes major physicochemical dimensions for quick comparison, while exact numerical values remain listed on the left.

Amino Acid Composition

TPSA 4303.31

LogP 21.12

H-bond Donors 86.0

H-bond Acceptors 170.0

Rotatable Bonds 204.0

Heavy Atoms 803.0

Ring Count 30.0

Amide Bonds 210.0

3D PDB MODEL

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2D CHEMICAL STRUCTURE

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RECORD: Rec_0431289 VERIFIED: YES

Provenance & Taxonomy

OrganismEscherichia coli O157 [other]

Tax ID1045010

Structure & Mods

Configlinear peptide [Linear]

Chiralitycanonical L-amino-acid peptide [L]

N-TermNone

C-TermNone

Bio-Activity Profile

Function

Toxin

MethodX-ray