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-5ecab0206577

Compost 293 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.27617-NODE-27619-length-1348-cov-2.634957_2

Retrieval

E-value5.80e-110
Bitscore354.6
Identity to nearest0.573
Nearest characterisedEC:A0ABN3C865

Structure

Methodesmfold
Mean pLDDT93.6
RMSD to IsPETase1.74 Å
Aligned fraction0.430

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

Active site

TriadS164/D211/H243
Ser–His2.96 Å
His–Asp2.89 Å
Cleft width16.83 Å
Cleft depth4.41 Å

Aromatic clamp: PHE223, PHE245, PHE96, TRP190

Structure, superposed on IsPETase

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

Sequence

LCSLQKGTVRYIQEANVFKKFGKLTVLASALLAASVASAQYQKGPDPTASGLERNGSFSTTSASVSGASGFGGGRLYYPTSTTSGTFGAIVLCPGFTAGASSLAWLGPRLASHGFVVLIIDTNSRLDQPSARARQLKAAADWLTDSSSVRTRIDADRVALGGHSMGGGGTLEALRDNPTAFKAGVPLAPWNLIKSFSSLRVPTLIIGGSADSVAPDNQHSIPFYTSIPASTPKVFVEINGASHLFPNTTNAVVSRYAISWYKRWVDEDTRYSQFINATPTGMQIGDIRRGGTY