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-9111db0b9d00

Marine plastisphere 388 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.3087-NODE-3087-length-5273-cov-3.903603_4

Retrieval

E-value1.20e-21
Bitscore64.7
Identity to nearest0.397
Nearest characterisedEC:A0A7W0CGN6

Structure

Methodesmfold
Mean pLDDT94.0
RMSD to IsPETase15.19 Å
Aligned fraction0.272

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

Active site

TriadS158/D208/H238
Ser–His2.91 Å
His–Asp3.21 Å
Cleft width20.7 Å
Cleft depth3.02 Å

Aromatic clamp: PHE115, PHE155, PHE241, PHE81, PHE85, TYR122, TYR89, TYR92

Structure, superposed on IsPETase

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

Sequence

MFRVTLFAFILVILLGPLQMVQAQAVPSTGSAGSFQVGTRDLNFNDPNLNDPSVDVRIYYPGTTANPNAPIENGVFPIVAFGHGFNLNYLDYERICSHLASWGYIVVTPDVQNGFNVDHQEYARELAACIQWLESEGQNNTSDFFGKVDSVSGVFGHSMGGGASGLVPSVFQDIDAISGLAAAETNPSAIASLGNYSGPYQIISGSSDNTAPESGHQIPMYNAALGEKQWVSITGGAHCKFTDNTTICDLVSSPGSVSRDDQIYLSNKYITAFFNYYLKQDVDALPFLCGDSLMADDTNGAITYQTNINCTTVGVEAPASEIKVYPNPVRNQFVVTGISQVEVYKVDGQRIGTFRDEGDGEIRMDATDWSSGLYFLIHEYGTLKVCKE