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-76b05ee43620

Compost 222 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.139294-NODE-139296-length-670-cov-2.782114_1

Retrieval

E-value2.40e-17
Bitscore50.6
Identity to nearest0.484
Nearest characterisedEC:A0ABW2CM09

Structure

Methodesmfold
Mean pLDDT89.5
RMSD to IsPETase10.01 Å
Aligned fraction0.230

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

Active site

TriadS105/D149/H179
Ser–His3.04 Å
His–Asp3.17 Å
Cleft width16.37 Å
Cleft depth5.14 Å

Aromatic clamp: PHE130, PHE144, PHE180, PHE187, TRP33, TYR143, TYR44

Structure, superposed on IsPETase

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

Sequence

GPYATTNTVVGGNTYHHPATMGQGGVKHPVILWGNGTGATPDQYEVLLSHWASHGFIAAAANTTNAGSGQEMLAGLTYLTTANGQAGNVFQGKVDLANVATSGHSQGGMGSIAAARDPRVKTMMPIEGAFGGSSLRAGLTAIYFAGEDDTIVDKVGVRNAFTAASANPAAYAEAAGATHFTVNNSVFRPATTAWAKWMLQGDQTARQQFVGATCGLCNNAAW