Marc C. Deller, D.Phil.
marcdeller.com eloratherapeutics.com marc@marcdeller.com GitHub DOI 10.5281/zenodo.21807353 
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PETase ANnotation and Triage System

Nature's solution to a human-made problem, and structural learnings from Nature

PANTS-59e264535e51

Marine plastisphere 166 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.28231-NODE-28232-length-1313-cov-1.834658_1

Retrieval

E-value3.50e-09
Bitscore23.8
Identity to nearest0.261
Nearest characterisedEC:A0ABP6CMB2

Structure

Methodesmfold
Mean pLDDT86.4
RMSD to IsPETase14.08 Å
Aligned fraction0.155

Aligned fraction is a length-normalised gemmi superposition statistic, not a true TM-score.

Active site

TriadS57/D106/H139
Ser–His3.32 Å
His–Asp3.28 Å
Cleft width18.25 Å
Cleft depth4.08 Å

Aromatic clamp: PHE12, PHE14, PHE140, PHE141, PHE56, PHE58, PHE76, PHE88, TRP61, TYR24, TYR86

Structure, superposed on IsPETase

Catalytic triad drawn as ball-and-stick from the measured residues.

Sequence

AFYHMGFTVMRFNFRGVGRSQGEYDQGVGELSDAAAALDYLQSLNANSKHCWVAGFSFGAWIGMQLLMRRPEITGFVSVSPPADRYDFSFLAPCPSSGLIINGSADKVTPPHDTTDLVGKLHEQKGITITHKQIEDAGHFFEEPHMDTMIDIVTSYVKRRLKETTR