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-ecb485eac2c5

Compost 194 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.34164-NODE-34166-length-1225-cov-1.594872_2

Retrieval

E-value9.80e-74
Bitscore235.7
Identity to nearest0.663
Nearest characterisedPLC:Q8RR62

Structure

Methodesmfold
Mean pLDDT92.7
RMSD to IsPETase0.87 Å
Aligned fraction0.457

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

Active site

TriadS61/D107/H138
Ser–His3.0 Å
His–Asp2.8 Å
Cleft width17.71 Å
Cleft depth4.49 Å

Aromatic clamp: PHE119, PHE83, TRP60, TRP86, TYR139, TYR87

Structure, superposed on IsPETase

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

Sequence

RLASWGFVVIVIDTNTTLDQPDSRSRQQLAALDQVATLSRTSGNAIYNNVDTARMGVMGWSMGGGGSLASTLARPSLKASIPFAPWYATENFSGVTVPTFIIACEDDSIAPVRSHASPFYNSMTRNAKLFLELRGENHYCGNTSTTSAIKQIIGAKGVAWMKRYIDGDTRFTSFACSNPNNSTRVSDFRVANCS