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-28993327d4e2

Compost 198 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.185749-NODE-185751-length-595-cov-1.644444_1

Retrieval

E-value2.30e-15
Bitscore44.1
Identity to nearest0.309
Nearest characterisedEC:A0A9X7PFK9

Structure

Methodesmfold
Mean pLDDT94.1
RMSD to IsPETase14.28 Å
Aligned fraction0.185

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

Active site

TriadS92/D151/H182
Ser–His3.01 Å
His–Asp3.2 Å
Cleft width17.59 Å
Cleft depth3.77 Å

Aromatic clamp: PHE16, PHE185, PHE93, PHE96, TYR11, TYR2

Structure, superposed on IsPETase

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

Sequence

VYSHGSGGLRYVASFFTELLASHGFVVASLDHVGNTAVDTIGGAEPPREQIAHDRVLDVDVLIDQMLEQSAATDGRFAGAVDPERIGVAGHSFGAFTALASAGGFTNELGAIPPDDRVDAIVAMAPASRLNSDEELESIDVPTLLVSGTLDETTPIDPQTERPWNLIPGRPLWRVDITDAGHQSFTDVCRYQELLPTF