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-91938fb9b714

Marine plastisphere 175 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.158283-NODE-158285-length-528-cov-2.706131_1

Retrieval

E-value2.30e-12
Bitscore34.3
Identity to nearest0.301
Nearest characterisedEC:A0ABW3EGR7

Structure

Methodesmfold
Mean pLDDT86.1
RMSD to IsPETase15.07 Å
Aligned fraction0.155

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

Active site

TriadS37/D118/H150
Ser–His3.15 Å
His–Asp3.23 Å
Cleft width21.57 Å
Cleft depth5.03 Å

Aromatic clamp: PHE68, PHE74, PHE78, TRP45, TRP65, TRP82, TYR119, TYR129, TYR5, TYR71, TYR77, TYR81

Structure, superposed on IsPETase

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

Sequence

IHHAYPSQDFDDLMASVDALVQKGYVDPERLFVTGGSGGGTLTAWIVGKTDRFRAAVVAKPVINWASFVLYADFSAYFSQYWFPGMPWDHYEHYWKRSPLSLVGKVKTPTMLLTGESDYRTPIPESEQYYQALKLLKVDTALVRIPGASHGIASRPSQLITKALHVLAWFDRYDR