Peptide Database

Peptide NameCrystal Structure of BlaA beta-lactamase in complex with the Antifungal Agent Tavaborole.

Function Ontology

Antifungal

Standard StatusStandard

Sequence Length261 amino acids

Chemical FormulaC1251H1490N360O119S8

DescriptionPDB structure; X-ray @2.5Å

        SVDKQLAELERNANGRLGVAMINTGNGTKILYRAAQRFPFCSTFKFMLAAAVLDQSQSQPNLLNKHINYHESDLLSYAPITRKNLAHGMTVSELCAATIQYSDNTAANLLIKELGGLAAVNQFARSIGDQMFRLDRWEPDLNTARPNDPRDTTTPAAMAASMNKLVLGDALRPAQRSQLAVWLKGNTTGDATIRAGAPTDWIVGDKTGSGDYGTTNDIAVLWPTKGAPIVLVVYFTQREKDAKPRRDVLASVTKIILSQIS
    

Molecular Weight28432.06 Da

Isoelectric Point (pI)9.55

Net Charge (pH 7.0)5.16

Net Charge (pH 7.4) 4.81

Charge Density (pH 7.0) 0.0198

GRAVY Index-0.23

Hydrophobic Moment 0.09

Boman Index0.01

Instability Index28.29

Aliphatic Index 89.08

Aromaticity 0.0766

Extinction Coeff. Reduced 30940.00

Extinction Coeff. Oxidized 31065.00

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

Amino Acid Composition

TPSA 9922.59

LogP -31.52

H-bond Donors 183.0

H-bond Acceptors 396.0

Rotatable Bonds 478.0

Heavy Atoms 1768.0

Ring Count 36.0

Amide Bonds 519.0

3D PDB MODEL

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2D CHEMICAL STRUCTURE

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RECORD: Rec_0431361 VERIFIED: YES

Provenance & Taxonomy

OrganismYersinia enterocolitica [other]

Tax ID630

Structure & Mods

Configlinear peptide [Linear]

Chiralitycanonical L-amino-acid peptide [L]

N-TermNone

C-TermNone

Bio-Activity Profile

Function

Antifungal

MethodX-ray