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-bfd978d4ddca

Compost 287 aa · assembly ERZ794971_FASTA_CDS_annotated · contig ERZ794971.41004-NODE-41004-length-1461-cov-4.467994_2

Retrieval

E-value5.50e-25
Bitscore75.7
Identity to nearest0.725
Nearest characterisedPLC:A0A1H1SPP7

Structure

Methodesmfold
Mean pLDDT91.6
RMSD to IsPETase9.02 Å
Aligned fraction0.249

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

Active site

TriadS154/D204/H234
Ser–His2.95 Å
His–Asp3.06 Å
Cleft width16.11 Å
Cleft depth4.67 Å

Aromatic clamp: PHE235, TRP82, TYR178, TYR244, TYR93

Structure, superposed on IsPETase

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

Sequence

MSKRLLRAAAIAAGLLISSSAFAVNPGDPVPPDTPGAPFPPVSSFDRSGPYATTSERVGLSCTIYRPRTLGQGGVRHPIIIWGNGTGASPSTYGSLLHHWASHGFVVAAANTSNAGTGEEMLRCLDYLIEENAKSSGTYAGMLNPGRVGASGHSQGGGGTIMAGQDPRVTVTAPIQPYTLGLGHRSSSQSNQNGPMFLMTGGIDAIAAPTLNALPVYNRANVPVFWGELRLAGHFEPVGNGGGYRGPSTAWFRYHLMDDNNARNYFYGANCTLCRDLGWSVRKKGMN