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-a460b8bbbf57

Human gut 172 aa · assembly ERZ4226354_FASTA_predicted_cds · contig ERZ4226354.50404-NODE-50404-length-537-cov-1.873444_1

Retrieval

E-value3.60e-11
Bitscore30.4
Identity to nearest0.350
Nearest characterisedEC:A0A3D9SNA7

Structure

Methodesmfold
Mean pLDDT80.3
RMSD to IsPETase13.60 Å
Aligned fraction0.166

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

Active site

TriadS66/D116/H148
Ser–His3.17 Å
His–Asp3.14 Å
Cleft width18.29 Å
Cleft depth5.44 Å

Aromatic clamp: PHE149, PHE73, TRP35, TYR156

Structure, superposed on IsPETase

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

Sequence

LVMEAESLPKFLRDGDLAPNAYVVMPQLPSGETGWNGVTEGLAELIDTVVEECGADADRVSLTGHSMGGTGAFAVAAALPERFSCVAPLSGSVRDSREMRASLADLPVWAIAGAQDDVVDPAAARDFLAALRAVNPDARYTEVEDAGHFDLPARAYLDGEIGLVRWLLSHER