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-6fcba6cf5714

Marine plastisphere 217 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.35602-NODE-35609-length-1258-cov-1.878637_3

Retrieval

E-value1.60e-09
Bitscore24.9
Identity to nearest0.277
Nearest characterisedEC:A0ABP7V404

Structure

Methodesmfold
Mean pLDDT94.2
RMSD to IsPETase17.37 Å
Aligned fraction0.170

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

Active site

TriadS108/D157/H190
Ser–His3.21 Å
His–Asp3.15 Å
Cleft width18.94 Å
Cleft depth3.85 Å

Aromatic clamp: PHE107, PHE109, PHE127, PHE139, PHE191, PHE192, PHE37, PHE63, PHE65, TRP112, TYR137, TYR75

Structure, superposed on IsPETase

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

Sequence

MPEVIFPGPEGRLEGRYHPQKERDAPIAIVLHPHPQFGGTMNHKVVHALHYAFFNMGFTVLRFNFRGVGRSQGEYDQGIGELSDAASALDYLQSMNNNSKHCWVAGFSFGAWIGMQLLMRRPEITGFISVSPPANMYDFSFLAPCPSSGLIINGTADRVAPPADTQALVQKLHEQKGITITHTEIEGADHFFKEPHIDTMIGHVTEYVKRRLTETTR