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-6f7dc1a8b70e

Marine plastisphere 217 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.40630-NODE-40637-length-1174-cov-2.709562_1

Retrieval

E-value7.30e-07
Bitscore16.2
Identity to nearest0.264
Nearest characterisedEC:A0ABP6CMB2

Structure

Methodesmfold
Mean pLDDT94.6
RMSD to IsPETase16.36 Å
Aligned fraction0.181

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

Active site

TriadS108/D157/H190
Ser–His3.24 Å
His–Asp3.21 Å
Cleft width21.56 Å
Cleft depth3.83 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

MPEVIFPGPEGRLEGRYHPQKTKDAPIAIILHPHPQFGGTMNNRVVYNLHYAFHNMGFNVLRFNFRGVGRSQGEYDQGIGELSDAASALDYLQSMNQNAKHCWVAGFSFGAWIGMQLLMRRPEITGFISVSPPANMYDFSFLAPCPSSGLIINGTGDRVAPPRDTHTLVGKLHEQKGITISHEEIEGAGHFFEDPHMEVMIGSVTDYVTRRLTETTR