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-252273fc627f

Marine plastisphere 191 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.97936-NODE-97947-length-753-cov-1.717765_2

Retrieval

E-value7.00e-09
Bitscore22.8
Identity to nearest0.283
Nearest characterisedEC:A0ABP7IBD0

Structure

Methodesmfold
Mean pLDDT91.8
RMSD to IsPETase15.64 Å
Aligned fraction0.151

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

Active site

TriadS82/D131/H164
Ser–His3.29 Å
His–Asp3.19 Å
Cleft width22.24 Å
Cleft depth3.68 Å

Aromatic clamp: PHE101, PHE11, PHE113, PHE165, PHE166, PHE39, PHE81, PHE83, TRP86, TYR111, TYR21, TYR49

Structure, superposed on IsPETase

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

Sequence

IAIILHPHPQFGGTMNHKVVYNLHYAFYGMGFTVLRFNFRGVGRSQGEYDQGIGELSDAASALDYLQSMNNNSKHCWVAGFSFGAWIGMQLLMRRPEITGFISVSPPANMYDFSFLAPCPSSGLIINGSADRVAPPADTVSLVNKLHEQKGITITHQEVEGAGHFFEDPHMDTLIDSTTDYVKRRLTETTR