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-d7e3c8946cef

Compost 171 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.262953-NODE-262955-length-515-cov-3.654348_1

Retrieval

E-value4.50e-08
Bitscore20.2
Identity to nearest0.456
Nearest characterisedEC:A0A9X2K9B4

Structure

Methodesmfold
Mean pLDDT79.9
RMSD to IsPETase12.99 Å
Aligned fraction0.162

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

Active site

TriadS29/D91/H118
Ser–His2.84 Å
His–Asp3.29 Å
Cleft width17.25 Å
Cleft depth4.82 Å

Aromatic clamp: PHE130, TRP50, TRP55, TYR122, TYR85

Structure, superposed on IsPETase

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

Sequence

DWVTTEAARNDAALAYRLDINSVAVMGMSCGGNLALEAARDPRVKALGMWNSGVWNSGEMRTGDGTLLVATTKADLANVHSPTIYINGDIDPAKVNAADDVTRLGVPVFFGSRHNAGHAGTYSHANGGEFANVAVAWLRWRLKGDAAAGRMFTGADCTLCRDPNWIVQRKG