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-4e8c96d0bf74

Human gut 279 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.1672-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-1672-length-45779-cov-50.932694_1

Retrieval

E-value2.00e-07
Bitscore18.0
Identity to nearest0.305
Nearest characterisedEC:A0A7Y9GI10

Structure

Methodesmfold
Mean pLDDT87.3
RMSD to IsPETase15.13 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 width14.89 Å
Cleft depth4.52 Å

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

Structure, superposed on IsPETase

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

Sequence

MKKILFAIVLSLTALKVSAYDFLRAVKDSIPGGYNFWVYTPVDYFYSQEQTPVIIFLHGASLCGRDLSRVRRYGPLDAIVKGRDIDALTIVPQNPGGAWSPKKVMDVFDWVRKHYACDSTRVYVLGMSLGGYGTMDVCGTYPDRIAAGMALCGGTSLKDVSGLGKLPFWIIHGTADRAVPVKQSKVVVEKLKKSGDDSRLLYDWLPGANHGAPARIFYLKKTYEWLFSHSLVDKDRPVNKSIDIGLGDLRKAYRDVNRNKPAPELIDGPSIIKEEGNEY