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-e8e629209abb

Compost 219 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.36275-NODE-36277-length-1192-cov-2.625330_2

Retrieval

E-value1.30e-09
Bitscore25.2
Identity to nearest0.341
Nearest characterisedEC:A0A8J3X7Y9

Structure

Methodesmfold
Mean pLDDT91.7
RMSD to IsPETase14.41 Å
Aligned fraction0.192

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

Active site

TriadS130/D179/H211
Ser–His3.01 Å
His–Asp3.02 Å
Cleft width21.08 Å
Cleft depth3.01 Å

Aromatic clamp: PHE137, PHE174, PHE218, PHE89, TRP214, TRP77, TYR206, TYR215, TYR76

Structure, superposed on IsPETase

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

Sequence

RTFETAENVLPYRILFPENYDKTKKYPLILLLHGGGERGTDNEKQLVHGARLFLQKDIRQKYPAIVVVPQCPNDAYWASAKIDRTVNPFKIDLDYFGDPQWPLAAANELVTKLTDEEAVDKSRIYITGLSMGGMGTFESVYRYPDRYTAALPICGGGDTDAFDKRVRRIPFWIFHGGDDAVVDVQLSRNMVKKLKSVGAKVKYTEYPCVNHNSWYNAFA