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-63e6e43ce87a

Compost 121 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.172685-NODE-172687-length-613-cov-2.077061_2

Retrieval

E-value4.90e-12
Bitscore33.2
Identity to nearest0.321
Nearest characterisedEC:A0ABW3EQF3

Structure

Methodesmfold
Mean pLDDT88.1
RMSD to IsPETase3.72 Å
Aligned fraction0.113

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

Active site

TriadS21/D70/H102
Ser–His3.18 Å
His–Asp2.93 Å
Cleft width15.46 Å
Cleft depth7.33 Å

Aromatic clamp: PHE109, PHE28, PHE65, TRP105

Structure, superposed on IsPETase

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

Sequence

MKKLIADEGVDKKRVYITGLSMGGMGTFEAVYRYPKLFAAAAPICGGGDVDRYTKQVAKIPFWIFHGDQDAVVSVKESQAMVAKLKSLKATVKYTEYGGVNHNSWDNAFAEPGFIKWLLSN