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-fcdc8407dc64

Marine plastisphere 251 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.15309-NODE-15310-length-1987-cov-2.589027_1

Retrieval

E-value3.90e-08
Bitscore20.4
Identity to nearest0.273
Nearest characterisedEC:A0A853BQM0

Structure

Methodesmfold
Mean pLDDT93.1
RMSD to IsPETase19.10 Å
Aligned fraction0.177

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

Active site

TriadS108/D157/H190
Ser–His3.1 Å
His–Asp3.1 Å
Cleft width20.43 Å
Cleft depth3.84 Å

Aromatic clamp: PHE109, PHE127, PHE191, PHE192, PHE63, TRP112, TYR107, TYR137, TYR75

Structure, superposed on IsPETase

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

Sequence

MAEMLIPGPAGRIEARYTPPPHEGASIALILHPHPRAGGTMQDPIAIRLYQMFESKGFGVLRFNTRGVGRSQGVYDQGVGELEDAAFVLDYMENLTESPRYVWCAGYSFGAWITLQLLMRRPEIDGFLAIAPPANHYDLSFLAPCPASGMIISGENDAISKPADVERALTKVRIQKGESIERTSIDGANHFFQNKHDELIDICEAYVDRRLIEDEEKLRREAEAAAAKSGSRKPPIPRALPLNPEDNEPMG