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 health problem

PANTS-5fdfa5b1dde4

Human gut 279 aa · assembly ERZ4560756_FASTA_predicted_cds · contig ERZ4560756.3069-Hadza-MoBio-hadza-E-H-G-1-1731--NODE-3069-length-24551-cov-7.502492_15

Retrieval

E-value2.30e-07
Bitscore17.9
Identity to nearest0.305
Nearest characterisedEC:A0A7Y9GI10

Structure

Methodesmfold
Mean pLDDT87.9
RMSD to IsPETase15.12 Å
Aligned fraction0.192

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

Active site

TriadS128/D176/H210
Ser–His3.1 Å
His–Asp2.88 Å
Cleft width14.88 Å
Cleft depth4.51 Å

Aromatic clamp: PHE217, PHE56, TRP99, TYR132, TYR73

Structure, superposed on IsPETase

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

Sequence

MKKILFVIVLSLTALKVSAYDFLRAVKDSIPGGYNFWVYTPVDYFYSQEQTPVIIFLHGASLCGRDLSRVRRYGPLDAIVKGRDIDALTIVPQNPGGAWSPKKVMDVFDWVRKHYACDSTRVYVLGMSLGGYGTMDVCGTYPDRIAAGMALCGGTSLKDVSGLGKLPFWIIHGTADRAVPVKQSKVVVEKLKRSGDDSRLLYDWLPGANHGAPARIFYLKKTYEWLFSHSLVDKDRPVNKSIDIGLGDLRQAYRDVNRNKPAPELIDGPSVIKEEGNEY