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-967c3c1a60c8

Human gut 185 aa · assembly ERZ4560895_FASTA_predicted_cds · contig ERZ4560895.90119-Hadza-MoBio-hadza-A-D-J-9-1548--NODE-90119-length-558-cov-1.494802_1

Retrieval

E-value7.30e-08
Bitscore19.5
Identity to nearest0.243
Nearest characterisedEC:A0ABR9JL03

Structure

Methodesmfold
Mean pLDDT80.8
RMSD to IsPETase12.55 Å
Aligned fraction0.170

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

Active site

TriadS103/D148/H177
Ser–His3.28 Å
His–Asp2.71 Å
Cleft width25.05 Å
Cleft depth4.11 Å

Aromatic clamp: PHE124, PHE180, PHE42, PHE74, PHE79, TRP144, TYR128, TYR153, TYR183, TYR2, TYR43, TYR53, TYR76

Structure, superposed on IsPETase

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

Sequence

GYSLQSYDLKYLESNSKVEVKTDGDYTYFTPTNVNATKGFIFYPGERVDSSSYAKLCNMIASYGYKVVAVDMPFNYASFGENKADDVIKNNPEITKWVIGGDSLGGTVASNYAINNKNIEGIVFISSYPRENISELGFKVLSLWGSKDNVVDYKELINSKERLPKDTKYIEIEGANHSQFANYGT