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-b1b2f95a9cef

Compost 280 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.20900-NODE-20902-length-1536-cov-3.045240_2

Retrieval

E-value1.10e-110
Bitscore357.0
Identity to nearest0.570
Nearest characterisedEC:A0ABW2PE71

Structure

Methodesmfold
Mean pLDDT96.3
RMSD to IsPETase1.08 Å
Aligned fraction0.457

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

Active site

TriadS152/D198/H230
Ser–His2.91 Å
His–Asp2.93 Å
Cleft width17.31 Å
Cleft depth4.29 Å

Aromatic clamp: PHE210, PHE231, PHE232, PHE79, TRP177

Structure, superposed on IsPETase

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

Sequence

MLKLCKIAAVAATLALSTTAFAQYQKGPAPTSSSVERNGSFATSSTSVSSLSVSGFGGGRLYYPTASGTYGAIALCPGFTATASSLSWFGTRLASHGFIVLIIDTNTTLDQPGSRASQLKAATDYLVAQNSRTGSPIRGKVDTSRLAIGGHSMGGGGTLEAAARNSGYKAAMPLTPWHTTKSFSSLRVPTLIIGGSADTVAPNSSHSIPFYTSIPSSTSKIYMELRGATHFFPQTSDALVSRFAVSWYKRWVDLDTRYSQFINSTPSSTQVSDFRRSGTF