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-2b40ec6a6df0

Compost 335 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.53576-NODE-53578-length-1006-cov-1.815983_1

Retrieval

E-value1.90e-16
Bitscore47.7
Identity to nearest0.299
Nearest characterisedEC:A0ABP8Q6M0

Structure

Methodesmfold
Mean pLDDT87.8
RMSD to IsPETase17.39 Å
Aligned fraction0.249

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

Active site

TriadS217/D276/H307
Ser–His2.98 Å
His–Asp3.24 Å
Cleft width18.17 Å
Cleft depth3.05 Å

Aromatic clamp: PHE218, PHE221, PHE310, TYR127, TYR136

Structure, superposed on IsPETase

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

Sequence

DRPRPFRGRTSALLAASMVLALLVAACSSDGDRAGGEDGSTTSTTTEAESLDPPDEPGPYGVGRTTLELDAPTRARPLVTDVWYPTDAAATGEPSVYQFIPGIEFASETALADVPVSAEGPFPLVVYSHGSGGLRYVAAFYTELLASHGFVVVAADHAGNTATDSITGTEAPREQIALDRVLDVDVLIDRMIELSAAGDGQLSGSVDPEQVGVTGHSFGAFTALASAGGYTNELGTVPPDDRVDAIVAMAPASRINSDAELESIDVPTLLVSGTLDTTTPIEPQTERPWELIPARPLWRVDITDAGHQSFTDVCRYQELLPTFEDVPQIVVDAVD