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-6a8e5e202c83

Human gut 279 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.113060-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-113060-length-1521-cov-1.799169_1

Retrieval

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

Structure

Methodesmfold
Mean pLDDT84.7
RMSD to IsPETase10.15 Å
Aligned fraction0.192

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

Active site

TriadS128/D176/H210
Ser–His3.07 Å
His–Asp2.91 Å
Cleft width15.19 Å
Cleft depth4.49 Å

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

Structure, superposed on IsPETase

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

Sequence

MKKILFTIFLAFSALHMSAYDFLRPVKDSIPNGYNFWVYTPIDYFYSQEHTPVIIFLHGASLCGRNLNRVRRYGPLDAIVKGRESEALTIVPQNPGGAWNPKKIMDVLDWVAKRYPCDTTRVYVIGMSLGGYGTMDVCGTYPDRIAAGMALCGGTSLKDVSGLGKLPFWIIHGTADRAVSVNCSKTVVEKLKSEGNDQRLLYNWWQGAGHGAPARVFYLKKTYEWLFSHSLRDPDRHVRRDISIEMSDQRKAYSDITRGGGAPELIDGISVIKSEGFED