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-0927b15394b6

Human gut 268 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.755-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-755-length-78492-cov-287.201135_15

Retrieval

E-value3.30e-07
Bitscore17.3
Identity to nearest0.376
Nearest characterisedEC:A0A3D9SRX0

Structure

Methodesmfold
Mean pLDDT85.3
RMSD to IsPETase14.35 Å
Aligned fraction0.208

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

Active site

TriadS117/D165/H199
Ser–His3.06 Å
His–Asp2.93 Å
Cleft width15.05 Å
Cleft depth4.49 Å

Aromatic clamp: PHE206, PHE45, TRP88, TYR121, TYR62

Structure, superposed on IsPETase

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

Sequence

MSVMRLSAHDFLRAVKDSIPDGYNFWVYTPIDYFYSQEQTPVIIFLHGASLCGRNLDRVRRYGPLDAIVKGREIEALTIVPQNPGGAWSPKKVMDVLDWVAKRYPCDTTRVYVIGMSLGGYGTMDVCGTYPDRIAAGMALCGGTSLKDVSGLGKLPFWIIHGTADRAVSVNCSKTVVEKLKSEGNDQRLLYNWWQGAGHGAPARVFYLKKTYEWLFSHSLRDPDRHVRRDISIEMSDQRKAYSDITRGGGAPELIDGISVIKSEGFED