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-8255cbab3349

Human gut 223 aa · assembly ERZ857686_FASTA_predicted_cds · contig ERZ857686.126-k141-298_1

Retrieval

E-value8.30e-06
Bitscore12.7
Identity to nearest0.260
Nearest characterisedEC:A0A3N1D7Y0

Structure

Methodesmfold
Mean pLDDT94.9
RMSD to IsPETase16.04 Å
Aligned fraction0.158

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

Active site

TriadS95/D166/H195
Ser–His3.33 Å
His–Asp3.38 Å
Cleft width25.94 Å
Cleft depth3.35 Å

Aromatic clamp: PHE122, PHE199, PHE50, PHE55, PHE92, TRP171, TRP34, TYR125, TYR144, TYR52

Structure, superposed on IsPETase

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

Sequence

LQGWFIPSSTGPADNAIATIIHAHGNAGNMSAHWPLVSWLPERNFNVFMFDYRGFGKSKGTLSQAGLLDDTQSAINVVRHRSDVNPQRLVLFGQSIGGANILDVIGQDDREGIRAVILDSTFASYATIANQMIPGSGYLLDESYSGENYIASVSPIPLLLIHGKADHVIPWQHSEKLYSLAKEPKRLILIPDGEHIDAFSDRHGDVYREQMVDFILSALNPQN