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-3569c6b6e3b6

Human gut 280 aa · assembly ERZ4560750_FASTA_predicted_cds · contig ERZ4560750.24455-Hadza-MoBio-hadza-E-H-E-23-1730--NODE-24455-length-4929-cov-41.814097_3

Retrieval

E-value3.60e-07
Bitscore17.2
Identity to nearest0.376
Nearest characterisedEC:A0A3D9SRX0

Structure

Methodesmfold
Mean pLDDT85.1
RMSD to IsPETase15.07 Å
Aligned fraction0.211

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

Active site

TriadS129/D177/H211
Ser–His3.07 Å
His–Asp2.91 Å
Cleft width15.09 Å
Cleft depth4.49 Å

Aromatic clamp: PHE218, PHE57, TRP100, TYR133, TYR74

Structure, superposed on IsPETase

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

Sequence

MKKRILLFMVLLMSVMRLSAHDFLRAVKDSIPDGYNFWVYTPIDYFYSQEQTPVVIFLHGASLCGRNLDRVRRYGPLDAIVKGREIEALTIVPQNPGGAWSPKKVMDVLDWVAKRYPCDTTRVYVIGMSLGGYGTMDVCGTYPDRIAAGMALCGGTSLKDVSGLGKLPFWIIHGTADRAVSVNCSKTVVEKLKSEGNDQRLLYNWWQGAGHGAPARVFYLKKTYEWLFSHSLRDPDRHVRRDISIEMSDQRKAYSDITRGGGAPELIDGISVIKSEGFED