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-5a9b797e4c9c

Marine plastisphere 150 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.117792-NODE-117803-length-689-cov-1.011041_1

Retrieval

E-value5.90e-09
Bitscore23.1
Identity to nearest0.276
Nearest characterisedEC:A0ABV9E7U1

Structure

Methodesmfold
Mean pLDDT82.2
RMSD to IsPETase15.42 Å
Aligned fraction0.117

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

Active site

TriadS32/D95/H124
Ser–His3.06 Å
His–Asp3.28 Å
Cleft width25.42 Å
Cleft depth4.99 Å

Aromatic clamp: PHE100, PHE125, PHE31, PHE56, PHE60, PHE74, TYR40

Structure, superposed on IsPETase

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

Sequence

EARIYEDVTAAFQYLTADMGIPAAQIIAHGFSLGGAPTLYLANREPLGGVILEGTFTTVFRVVTRIPLVPFETFSNLSRIRRLDCPVLVAHGQQDSVIPFRHGQALFAAAPTPKGFLDIPDAGHFPLLLAAPERYIPVLSEFVAQLSVDP