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-db1a5e67e9b9

Human gut 136 aa · assembly ERZ24772406_FASTA_predicted_cds · contig ERZ24772406.1416-NODE-1416-length-14285-cov-31.636402_1

Retrieval

E-value9.20e-10
Bitscore25.7
Identity to nearest0.283
Nearest characterisedEC:A0ABP8UBC5

Structure

Methodesmfold
Mean pLDDT93.3
RMSD to IsPETase14.98 Å
Aligned fraction0.136

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

Active site

TriadS32/D81/H113
Ser–His3.29 Å
His–Asp3.23 Å
Cleft width15.92 Å
Cleft depth6.73 Å

Aromatic clamp: PHE120, PHE76, TRP116, TYR39

Structure, superposed on IsPETase

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

Sequence

LTTTIRTLKSLLDTFLDMPQVDKLRVYIMGLSMGGMATYDMVIRYPEIFAAAVPICGTVNPVRIGKELREIKFRIFHGDTDSVVTPEGSREAYKALKAIDASVEYIEFVGCDHNSWNPAFNYPDFMNWLFNQKKEK