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-0d43598204b7

Human gut 216 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.151534-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-151534-length-1640-cov-2.550864_1

Retrieval

E-value1.70e-08
Bitscore21.6
Identity to nearest0.343
Nearest characterisedEC:A0A7Y9GI10

Structure

Methodesmfold
Mean pLDDT92.3
RMSD to IsPETase15.65 Å
Aligned fraction0.181

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

Active site

TriadS128/D176/H210
Ser–His2.97 Å
His–Asp2.91 Å
Cleft width15.14 Å
Cleft depth4.24 Å

Aromatic clamp: PHE56, TRP99, TYR132, TYR73

Structure, superposed on IsPETase

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

Sequence

MKKILLMLLLLVSTMQASAYDFLRAVKDSIPGGYNFWVYTPIDYFYSQEQTPVIIFLHGASLCGRNLERVRRYGPLDAIVKGRQIDALTIVPQNPGGAWSPKKIMDVFDWVKSRYACDTTRVYVLGMSLGGYGTMDVCGTYPDRIAAGMALCGGTSLKDVSGLGRLPFWIIHGTADRAVPVSKSKTVVESLKRDGNDTRLLYDWLKGANHGAPARI