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-f36ac3596244

Human gut 144 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.487844-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-487844-length-531-cov-3.229075_2

Retrieval

E-value3.30e-08
Bitscore20.6
Identity to nearest0.297
Nearest characterisedEC:A0ABW1CC56

Structure

Methodesmfold
Mean pLDDT82.2
RMSD to IsPETase10.83 Å
Aligned fraction0.121

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

Active site

TriadS42/D90/H123
Ser–His3.09 Å
His–Asp3.07 Å
Cleft width19.64 Å
Cleft depth6.16 Å

Aromatic clamp: PHE85, TRP124, TRP126, TRP130, TRP49, TYR4, TYR46

Structure, superposed on IsPETase

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

Sequence

EGSYSIEETPISPALSAASKLLDDICAQYPADTSRLYITGVSMGGYGAWDLLLRHPDLFAGAIILCGAGDPSQAAAIAHIPLRLFHGAKDTEVPVSGSREMYQALLDAGANDVQYQEYPDIGHWIWLNAWDEPGLLDWLFSVSK