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-473e39e1c7e5

Marine plastisphere 217 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.12882-NODE-12883-length-2191-cov-3.788858_2

Retrieval

E-value3.40e-07
Bitscore17.3
Identity to nearest0.263
Nearest characterisedEC:A0ABP7V404

Structure

Methodesmfold
Mean pLDDT95.0
RMSD to IsPETase16.28 Å
Aligned fraction0.181

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

Active site

TriadS108/D157/H190
Ser–His3.25 Å
His–Asp3.19 Å
Cleft width21.54 Å
Cleft depth3.85 Å

Aromatic clamp: PHE107, PHE109, PHE127, PHE139, PHE191, PHE192, PHE37, PHE63, PHE65, TRP112, TYR137, TYR47, TYR75

Structure, superposed on IsPETase

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

Sequence

MPEVIFPGPEGRLEGRYHAQKTKDAPIAIVLHPHPQFGGTMNNRVVYNLHYAFLNMGFNVLRFNFRGVGRSQGEYDQGIGELSDAASALDYLQSMNQNAKHCWVAGFSFGAWIGMQLLMRRPEITGFISVSPPANMYDFSFLAPCPSSGLIINGTGDRVAPPRDTHTLVGKLHEQKGITITHTEIEGAGHFFEDPHMEDMIGNVTEYVQRRLTETTR