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-37425c2194fc

Marine plastisphere 165 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.65570-NODE-65579-length-920-cov-2.265896_3

Retrieval

E-value4.60e-09
Bitscore23.4
Identity to nearest0.277
Nearest characterisedEC:A0ABP7IBD0

Structure

Methodesmfold
Mean pLDDT87.8
RMSD to IsPETase14.66 Å
Aligned fraction0.143

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

Active site

TriadS56/D105/H138
Ser–His3.22 Å
His–Asp3.15 Å
Cleft width18.37 Å
Cleft depth4.21 Å

Aromatic clamp: PHE11, PHE13, PHE139, PHE140, PHE55, PHE57, PHE75, PHE87, TRP60, TYR23, TYR85

Structure, superposed on IsPETase

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

Sequence

FFNMGFTVLRFNFRGVGRSQGEYDQGIGELSDAASALDYLQSMNNNSKHCWVAGFSFGAWIGMQLLMRRPEITGFVSVSPPANMYDFSFLAPCPSSGLIINGTNDRVAPPADTHTLVNKLHDQKGITITHQEIDGAGHFFEEPHMDTMIGNVTEYVQRRLTENTR