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-fc7a76552900

Human gut 195 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.239070-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-239070-length-757-cov-2.357353_2

Retrieval

E-value3.00e-09
Bitscore24.0
Identity to nearest0.283
Nearest characterisedEC:A0A1M6M213

Structure

Methodesmfold
Mean pLDDT83.4
RMSD to IsPETase12.84 Å
Aligned fraction0.158

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

Active site

TriadS46/D94/H128
Ser–His3.05 Å
His–Asp3.05 Å
Cleft width13.61 Å
Cleft depth5.14 Å

Aromatic clamp: PHE55, TRP17, TYR50

Structure, superposed on IsPETase

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

Sequence

RQIDALVIVPQNPGGAWNPDKLNDILEWTKKNYAMDSTRVYVLGMSLGGYGTMDFAAAYPDKIAAAMALCGGCSAKDKSGLGRLPLWIIHGTGDRAVSVKQSQVVVKELQDTNNDKRLRFDWLRGASHGALARILYMRKTYEWLFSHSTTNPGRPVRPDITIDNSDLTKAYKDMKRGVPSPEIIFEKSIKDDDEY