Peptide Database

Peptide NameHIV-1 protease triple mutants V32I, I47V, V82I with GRL-011-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, sulfonamide isostere derivate)

Function Ontology

Antiviral

Standard StatusStandard

Sequence Length99 amino acids

Chemical FormulaC491H612N130O35S2

DescriptionPDB structure; X-ray @1.5Å

        PQITLWKRPLVTIKIGGQLKEALLDTGADDTIIEEMSLPGRWKPKMVGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPINIIGRNLLTQIGATLNF
    

Molecular Weight10742.60 Da

Isoelectric Point (pI)10.07

Net Charge (pH 7.0)3.09

Net Charge (pH 7.4) 3.03

Charge Density (pH 7.0) 0.0313

GRAVY Index0.21

Hydrophobic Moment 0.11

Boman Index0.19

Instability Index46.36

Aliphatic Index 122.12

Aromaticity 0.0606

Extinction Coeff. Reduced 12490.00

Extinction Coeff. Oxidized 12490.00

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

Amino Acid Composition

TPSA 3489.40

LogP 20.29

H-bond Donors 63.0

H-bond Acceptors 140.0

Rotatable Bonds 201.0

Heavy Atoms 677.0

Ring Count 14.0

Amide Bonds 186.0

3D PDB MODEL

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2D CHEMICAL STRUCTURE

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RECORD: Rec_0431345 VERIFIED: YES

Provenance & Taxonomy

OrganismHuman immunodeficiency virus 1 [other]

Tax ID11676

Structure & Mods

Configlinear peptide [Linear]

Chiralitycanonical L-amino-acid peptide [L]

N-TermNone

C-TermNone

Bio-Activity Profile

Function

Antiviral

MethodX-ray