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-27463e09e9cc

Compost 168 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.80047-NODE-80049-length-847-cov-2.797980_1

Retrieval

E-value6.10e-17
Bitscore49.3
Identity to nearest0.373
Nearest characterisedEC:A0ABW2CM09

Structure

Methodesmfold
Mean pLDDT83.1
RMSD to IsPETase5.37 Å
Aligned fraction0.143

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

Active site

TriadS38/D80/H110
Ser–His3.0 Å
His–Asp3.06 Å
Cleft width16.82 Å
Cleft depth6.54 Å

Aromatic clamp: TRP88, TYR112, TYR37

Structure, superposed on IsPETase

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

Sequence

NNRRMIAGLDWLIAQNSTGGSIFEGKLDVDRAASMGYSVGGTGAVDIASHKAIVTVVSIHGHAAEAALHGTALLIGGTNDVMRDGRSWLAPTYESLQVPTFFALVKDANHGYPSRAVDGVQAGVEAPAMIAWLRYWIYGDQGARKYFFGDDCVLCTAPWTDTQRKNWP