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-4158856f9a1e

Marine plastisphere 217 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.488-NODE-488-length-9789-cov-10.458291_4

Retrieval

E-value1.80e-08
Bitscore21.5
Identity to nearest0.263
Nearest characterisedEC:A0ABP7V404

Structure

Methodesmfold
Mean pLDDT93.5
RMSD to IsPETase16.87 Å
Aligned fraction0.181

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

Active site

TriadS108/D157/H190
Ser–His3.18 Å
His–Asp3.2 Å
Cleft width18.76 Å
Cleft depth3.86 Å

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

Structure, superposed on IsPETase

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

Sequence

MPEVIFPGPEGRLEGRYHPQKERDAPIAIILHPHPQFGGTMNNKVVHSLHYAFFNMGFTVLRFNFRGVGRSQGEYDQGIGELSDAASALDYLQSMNNNSKHCWVAGFSFGAWIGMQLLMRRPEITGFISVSPPANMYDFSFLAPCPSSGLIINGTADRVAPPADTEALVAKLHEQKGITITHTQVEGAGHFFEEPHLETLIGHTTDYVKRRLTETTR