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-99b3cc949168

Marine plastisphere 209 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.29107-NODE-29108-length-1291-cov-4.971683_1

Retrieval

E-value5.50e-08
Bitscore19.9
Identity to nearest0.263
Nearest characterisedEC:A0ABP7V404

Structure

Methodesmfold
Mean pLDDT92.1
RMSD to IsPETase16.27 Å
Aligned fraction0.174

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

Active site

TriadS100/D149/H182
Ser–His3.31 Å
His–Asp3.25 Å
Cleft width18.61 Å
Cleft depth3.77 Å

Aromatic clamp: PHE101, PHE119, PHE131, PHE183, PHE184, PHE29, PHE55, PHE57, PHE99, TRP104, TYR129, TYR67

Structure, superposed on IsPETase

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

Sequence

PEGRLEGRYHPQKERDAPIAIILHPHPQFGGTMNHKVVHALHYAFFKMGFTVLRFNFRGVGRSQGEYDQGIGELSDAASALDYLQSMNNNSKHCWVAGFSFGAWIGMQLLMRRPEITGFISVSPPANMYDFSFLAPCPSSGLIINGAADRVAPPADTEALVGKLHEQKGITITHTQIEGAGHFFEDPHLDTMIGHTTDYVKRRLTETSR