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-0053bec8509d

Human gut 199 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.310846-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-310846-length-598-cov-1.188100_1

Retrieval

E-value8.30e-11
Bitscore29.1
Identity to nearest0.365
Nearest characterisedEC:A0ABT4UC71

Structure

Methodesmfold
Mean pLDDT81.3
RMSD to IsPETase17.99 Å
Aligned fraction0.162

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

Active site

TriadS46/D94/H127
Ser–His2.92 Å
His–Asp3.1 Å
Cleft width19.0 Å
Cleft depth5.94 Å

Aromatic clamp: PHE47, TRP4, TRP53, TYR128, TYR50

Structure, superposed on IsPETase

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

Sequence

NVDWAKGCYDAGVEESMSAKLLMGLISELKQKFSVDADRIYLMGQSFGGYGTWDLITRHPDTFAAAIAMAGAGCTARAAAVKDMPILVLHGAKDPTVPVNGSRDMVAAVKAAGSTSITYLEYAADDHYVQRRVFEQPELWLDWLFAQSKDKAVSADDTSDCYFPVVTVNALDAEQKNNFTVSGGTLAATSGGVGKLTLT