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-3b852a348a40

Human gut 279 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.4411-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-4411-length-34890-cov-35.981214_2

Retrieval

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

Structure

Methodesmfold
Mean pLDDT87.2
RMSD to IsPETase15.14 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 depth4.52 Å

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

Structure, superposed on IsPETase

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

Sequence

MKKILFAIVLSLTALKVSAYDFLRAVKDSIPGGYNFWVYTPVDYFYSQEQTPVIIFLHGASLCGRDLSRVRRYGPLDAIVKGRDIDALTIVPQNPGGAWSPKKVMDVFDWVRKHYACDSTRVYVLGMSLGGYGTMDVCGTYPDRIAAGMALCGGTSLKDVSGLGKLPFWIIHGTADRAVPVKQSKVVVEKLKKSGDDSRLLYDWLPGANHGAPARIFYLKKTYEWLFSHSLVDKDRPVNKSIDIGLGDLRQAYRDVNRNKPAPELIDGPSVIKEEGNEY