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-80445f7a45c8

Human gut 201 aa · assembly ERZ4560750_FASTA_predicted_cds · contig ERZ4560750.121667-Hadza-MoBio-hadza-E-H-E-23-1730--NODE-121667-length-1206-cov-3.883082_2

Retrieval

E-value2.70e-12
Bitscore34.0
Identity to nearest0.328
Nearest characterisedEC:A0A1H5T4B9

Structure

Methodesmfold
Mean pLDDT94.0
RMSD to IsPETase11.93 Å
Aligned fraction0.151

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

Active site

TriadS96/D146/H178
Ser–His2.88 Å
His–Asp3.17 Å
Cleft width18.13 Å
Cleft depth4.29 Å

Aromatic clamp: PHE179, TRP103, TRP65, TYR18

Structure, superposed on IsPETase

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

Sequence

YWLYTPEDPCPGMPLVVYLHGGSGKGSDLSLLLEADSLPRFLQQGQLAPAAYIVMPQLPRDCTSWTDRQTALLALVDHLVSQHQLDNRRVSLTGHSMGGTGTWAVALDHPQRFSAIAPLSGSVRMTREALQSLTSLPVWAVVGAKDTIVPPEASMRFVDALARVNGDCRCTVLPEADHFAVPAVYLDQNTGLLDWLTAQTR