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-ce1fce39ad6e

Landfill 267 aa · assembly ERZ782921_FASTA_CDS_annotated · contig ERZ782921.114-NODE-114-length-52940-cov-96.076619_29

Retrieval

E-value8.90e-06
Bitscore12.6
Identity to nearest0.231
Nearest characterisedEC:A0A7W9GDV7

Structure

Methodesmfold
Mean pLDDT88.2
RMSD to IsPETase13.64 Å
Aligned fraction0.170

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

Active site

TriadS164/D213/H245
Ser–His2.96 Å
His–Asp3.17 Å
Cleft width20.95 Å
Cleft depth3.49 Å

Aromatic clamp: PHE101, PHE125, PHE127, PHE171, PHE185, PHE208, PHE240, PHE252, PHE64, TRP110, TRP248, TYR109

Structure, superposed on IsPETase

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

Sequence

MRMIKLCNLLALLFTWQLAIPSSAIAQKLTYQYARLIRGNDTLNYRILYPKRIDQEKVYPLILFLHGSGERGYDNEKQLLHGGNYFSSESNSEQFPAVVVFPQCSTNDYWANVTISEQSDSLRSFMFNPSAAPTTSMKLTMALIDSLLQTNWINKKQVYIGGLSMGGMGAFELLYRKPEVFAAAFPICGGGNPELINNMVKEVQVWAFHGADDPVVPPHLSEKMINAITKAGANARLTLFPNTGHNAWDRVFSSPELLQWLSTIQKE