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-806da9f1c7b5

Marine plastisphere 143 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.111779-NODE-111781-length-629-cov-2.034843_1

Retrieval

E-value9.20e-07
Bitscore15.9
Identity to nearest0.263
Nearest characterisedEC:A0ABP7V404

Structure

Methodesmfold
Mean pLDDT82.2
RMSD to IsPETase14.66 Å
Aligned fraction0.125

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

Active site

TriadS34/D83/H116
Ser–His3.13 Å
His–Asp3.29 Å
Cleft width18.29 Å
Cleft depth5.1 Å

Aromatic clamp: PHE117, PHE118, PHE33, PHE35, PHE53, PHE65, TRP38, TYR1, TYR63

Structure, superposed on IsPETase

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

Sequence

YDQGIGELSDAASALDYLQSMNTNAKHCWVAGFSFGAWIGMQLLMRRPEITGFVSVSPPANMYDFSFLAPCPSSGLIINGSADRVAGTKDTHALGGKLHEQKGITITHEELQGAGHFFEDPYMEPMLDTVEAYVRRRLTESTR