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-89f1b3515d50

Compost 185 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.178774-NODE-178776-length-604-cov-2.721311_1

Retrieval

E-value2.90e-12
Bitscore34.0
Identity to nearest0.321
Nearest characterisedEC:A0A2W2EN64

Structure

Methodesmfold
Mean pLDDT92.3
RMSD to IsPETase17.71 Å
Aligned fraction0.143

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

Active site

TriadS11/D70/H101
Ser–His3.25 Å
His–Asp3.35 Å
Cleft width14.83 Å
Cleft depth4.81 Å

Aromatic clamp: PHE104, PHE12, TYR131

Structure, superposed on IsPETase

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

Sequence

DPERVGVTGHSFGALTSLASAAGYTNELGSVPADERVDAIVAMAPASRLNSDEELESIDVPTLLVSGTLDETTPIDPQTERPWELIPGRPLWRVDVTDAGHQSFTDVCRYQQLLPTFGDVPQMLIDAVEDYASEGCAEGYVPIDEAHRLINRATIAFLLTYVAGEDGYESFLAEELPGEVVQVKE