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-f28f303efc41

Human gut 243 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.201581-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-201581-length-1231-cov-5.129983_1

Retrieval

E-value5.80e-11
Bitscore29.7
Identity to nearest0.291
Nearest characterisedEC:A0ABW1CGM7

Structure

Methodesmfold
Mean pLDDT90.4
RMSD to IsPETase19.14 Å
Aligned fraction0.200

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

Active site

TriadS139/D189/H221
Ser–His2.86 Å
His–Asp3.19 Å
Cleft width17.34 Å
Cleft depth4.45 Å

Aromatic clamp: PHE222, TRP110, TRP146, TYR228, TYR63

Structure, superposed on IsPETase

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

Sequence

MELTRRGFLSLTAVSAICLLCAGYGDAAVPPAGALTAHARDTGLSYWLYTPQSTGTPKPLVLYLHGGSGKGRDLNAVLEAESLPRFLQEGQLAPDAYVVMPQLPANCKGWSDRTAHLLQLLADIKAQCSIARTALTGHSMGGTGCWELALAHPEAFCAAAPLSGSVQLTEQNLTALQSLPVWAVVGSADTIVKPDTSEQFIAALHEKNPNARLTVREDATHFDVPQTYLDSTLGLLDWLTAAR