Peptide Database

Peptide NameCrystal structure of Antifungal agent Tavaborole in complex with SME-1 class A carbapenemase

Function Ontology

Antifungal

Standard StatusStandard

Sequence Length267 amino acids

Chemical FormulaC1291H1522N366O134S7

DescriptionPDB structure; X-ray @2.5Å

        NKSDAAAKQIKKLEEDFDGRIGVFAIDTGSGNTFGYRSDERFPLCSSFKGFLAAAVLERVQQKKLDINQKVKYESRDLEYHSPITTKYKGSGMTLGDMASAALQYSDNGATNIIMERFLGGPEGMTKFMRSIGDNEFRLDRWELELNTAIPGDKRDTSTPKAVANSLNKLALGNVLNAKVKAIYQNWLKGNTTGDARIRASVPADWVVGDKTGSCGAYGTANDYAVIWPKNRAPLIVSIYTTRKSKDDKHSDKTIAEASRIAIQAID
    

Molecular Weight29344.80 Da

Isoelectric Point (pI)9.46

Net Charge (pH 7.0)6.07

Net Charge (pH 7.4) 5.76

Charge Density (pH 7.0) 0.0227

GRAVY Index-0.50

Hydrophobic Moment 0.12

Boman Index-0.07

Instability Index21.19

Aliphatic Index 76.10

Aromaticity 0.0899

Extinction Coeff. Reduced 35410.00

Extinction Coeff. Oxidized 35535.00

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

Amino Acid Composition

TPSA 10421.89

LogP -34.74

H-bond Donors 201.0

H-bond Acceptors 416.0

Rotatable Bonds 523.0

Heavy Atoms 1829.0

Ring Count 36.0

Amide Bonds 524.0

3D PDB MODEL

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2D CHEMICAL STRUCTURE

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RECORD: Rec_0431364 VERIFIED: YES

Provenance & Taxonomy

OrganismSerratia marcescens [other]

Tax ID615

Structure & Mods

Configlinear peptide [Linear]

Chiralitycanonical L-amino-acid peptide [L]

N-TermNone

C-TermNone

Bio-Activity Profile

Function

Antifungal

MethodX-ray