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-526841a1bb94

Human gut 227 aa · assembly ERZ4560750_FASTA_predicted_cds · contig ERZ4560750.102375-Hadza-MoBio-hadza-E-H-E-23-1730--NODE-102375-length-1416-cov-16.329350_2

Retrieval

E-value2.00e-07
Bitscore18.1
Identity to nearest0.310
Nearest characterisedEC:A0A7Y9GI10

Structure

Methodesmfold
Mean pLDDT90.1
RMSD to IsPETase13.18 Å
Aligned fraction0.174

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

Active site

TriadS128/D176/H210
Ser–His3.0 Å
His–Asp2.87 Å
Cleft width15.02 Å
Cleft depth4.5 Å

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

Structure, superposed on IsPETase

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

Sequence

MKKILFAIVLSLTALKVSAYDFLRAVKDSIPGGYNFWVYTPVDYFYSQEQTPVIIFLHGASLCGRDLSRVRRYGPLDAIVKGRDIDALTIVPQNPGGAWSPKKVMDVFDWVRKHYACDSTRVYVLGMSLGGYGTMDVCGTYPDRIAAGMALCGGTSLKDVSGLGKLPFWIIHGTADRAVPVKQSKVVVEKLKKSGDDSRLLYDWLPGANHGAPARIFYLKKTYEWLF