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 health problem

PANTS-37c78e67f49b

Human gut 107 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.267919-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-267919-length-782-cov-1.344681_1

Retrieval

E-value7.20e-08
Bitscore19.5
Identity to nearest0.326
Nearest characterisedEC:A0A4R6UW92

Structure

Methodesmfold
Mean pLDDT88.4
RMSD to IsPETase13.91 Å
Aligned fraction0.102

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

Active site

TriadS2/D52/H84
Ser–His3.06 Å
His–Asp3.14 Å
Cleft width18.24 Å
Cleft depth7.03 Å

Aromatic clamp: PHE47, PHE85, TRP9

Structure, superposed on IsPETase

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

Sequence

HSMGGTGTWSLALDHPELFYRIAPLSGSVQNTEENVEALKSTPIQVFVGSADTIVDPETSIAFADALNQAGGSVQVTVFDGADHFSVPRLTYLDDSIRLIDWLIARN