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-ba80cc5a5982

Human gut 171 aa · assembly ERZ4226354_FASTA_predicted_cds · contig ERZ4226354.53614-NODE-53614-length-515-cov-1.541304_1

Retrieval

E-value4.30e-11
Bitscore30.1
Identity to nearest0.311
Nearest characterisedEC:A0A243RI45

Structure

Methodesmfold
Mean pLDDT81.2
RMSD to IsPETase11.50 Å
Aligned fraction0.147

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

Active site

TriadS39/D87/H120
Ser–His2.99 Å
His–Asp3.14 Å
Cleft width18.44 Å
Cleft depth6.66 Å

Aromatic clamp: PHE40, TRP46, TYR121, TYR2, TYR43

Structure, superposed on IsPETase

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

Sequence

SYDASAAESNSARLLMGLIGELKQAYQVDGNRVYLMGQSFGGYGTWDLITRHPETFAAAVPMCGAGCLERAEAVTDMPLLVLHGSADPTVPVSGSREMVDAIRKAGGKLVTYLEYEGDDHYVQRRLFEQPGLWMDWLFAQEKGVTAQAPDVSSCFMPETTLNLNSSGQLDQ