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-7304e7e56216

Compost 155 aa · assembly ERZ794971_FASTA_CDS_annotated · contig ERZ794971.152295-NODE-152295-length-549-cov-1.864372_1

Retrieval

E-value7.70e-72
Bitscore229.5
Identity to nearest0.583
Nearest characterisedPLC:A0A1I6NU60

Structure

Methodesmfold
Mean pLDDT88.1
RMSD to IsPETase4.36 Å
Aligned fraction0.208

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

Active site

TriadS27/D73/H105
Ser–His3.15 Å
His–Asp2.88 Å
Cleft width15.72 Å
Cleft depth6.72 Å

Aromatic clamp: PHE106, PHE107, PHE49, PHE85, TRP52

Structure, superposed on IsPETase

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

Sequence

AALGYLTDDSDVADLVDPERLGVAGHSMGGGGSLEATVENSDIDAVVPFAPWHLRKDFSELSTPTFIIGGESDSVAPVRRHAEPFYESIPDSTDKAYMELERANHFFPNTPDTTTAKYTFSWFKLFLDGDERYAQFLCPAPDDRDIEEYRDTCPY