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-068d318a9554

Compost 201 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.42635-NODE-42637-length-1110-cov-1.910900_1

Retrieval

E-value4.50e-37
Bitscore115.4
Identity to nearest0.321
Nearest characterisedPLC:E9KJL1

Structure

Methodesmfold
Mean pLDDT91.0
RMSD to IsPETase2.20 Å
Aligned fraction0.223

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

Active site

TriadS65/D115/H149
Ser–His3.01 Å
His–Asp2.69 Å
Cleft width20.4 Å
Cleft depth4.2 Å

Aromatic clamp: PHE109, PHE150, TYR125, TYR73, TYR94

Structure, superposed on IsPETase

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

Sequence

WAERLASHGFAVLNISPVNTLTDQPPDRGKDLETGVARIIAENTKDGSPLKGKLATDRIALSGHSMGAGGTLYAAAALKDKVRAAIPLMEHAPYITDADLKAITAALFFIAGELDGEPLGPPTKYSIPHFEKATSSVPRVVGVIKGGDHFLGVNSGAHHAEQARYAVAWLKMNLEDDMRYETYFYGSEHTPALWSTFTTAP