Peptide Database

Peptide Name1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (17-mer) inhibitor

Function Ontology

Antiviral

Standard StatusStandard

Sequence Length188 amino acids

Chemical FormulaC890H1016N254O66S12

DescriptionPDB structure; X-ray @1.2Å

        MHHHHHHAPPTLWSRVTKFGSGWGFWVSPTVFITTTHVVPTGVKEFFGEPLSSIAIHQAGEFTQFRFSKKMRPDLTGMVLEEGCPEGTVCSVLIKRDSGELLPLAVRMGAIASMRIQGRLVHGQSGMLLTGANAKGMDLGTIPGDCGAPYVHKRGNDWVVCGVHAAATKSGNTVVCAVQAGEGETALE
    

Molecular Weight20098.90 Da

Isoelectric Point (pI)7.68

Net Charge (pH 7.0)1.70

Net Charge (pH 7.4) 0.70

Charge Density (pH 7.0) 0.0091

GRAVY Index-0.01

Hydrophobic Moment 0.03

Boman Index0.14

Instability Index27.53

Aliphatic Index 77.23

Aromaticity 0.1277

Extinction Coeff. Reduced 23490.00

Extinction Coeff. Oxidized 23740.00

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

Amino Acid Composition

TPSA 6604.68

LogP 24.76

H-bond Donors 128.0

H-bond Acceptors 278.0

Rotatable Bonds 342.0

Heavy Atoms 1257.0

Ring Count 38.0

Amide Bonds 348.0

3D PDB MODEL

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2D CHEMICAL STRUCTURE

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RECORD: Rec_0431341 VERIFIED: YES

Provenance & Taxonomy

OrganismNorwalk virus [other]

Tax ID524364

Structure & Mods

Configlinear peptide [Linear]

Chiralitycanonical L-amino-acid peptide [L]

N-TermNone

C-TermNone

Bio-Activity Profile

Function

Antiviral

MethodX-ray