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-3859139782db

Compost 181 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.4101-NODE-4102-length-3887-cov-15.615605_1

Retrieval

E-value1.20e-08
Bitscore22.1
Identity to nearest0.413
Nearest characterisedEC:A0A7Z0EUU2

Structure

Methodesmfold
Mean pLDDT85.8
RMSD to IsPETase16.02 Å
Aligned fraction0.132

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

Active site

TriadS40/D98/H126
Ser–His3.13 Å
His–Asp2.75 Å
Cleft width14.68 Å
Cleft depth6.03 Å

Aromatic clamp: PHE138, PHE61, PHE99

Structure, superposed on IsPETase

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

Sequence

QATADDLKAGLDWAEKENAREGSPLRGRIDTQRMAAMGQSCGGILAVALGLDARVDTILVFNAGVDVASSTTQPGRPTIESLKDLHGPVLLVNGHERDFQMQASRATFDAITHVPAFYGARQGAGHTATLRHKGGGEFANVASAWLRWQFKGDQTAAKLFVGERCGLCTDPDWETASKLRP