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 problem, and structural learnings from Nature

PANTS-d97711269d0a

Human gut 225 aa · assembly ERZ4560750_FASTA_predicted_cds · contig ERZ4560750.110690-Hadza-MoBio-hadza-E-H-E-23-1730--NODE-110690-length-1316-cov-2.439064_1

Retrieval

E-value1.00e-09
Bitscore25.6
Identity to nearest0.295
Nearest characterisedEC:A0A8J3U475

Structure

Methodesmfold
Mean pLDDT92.0
RMSD to IsPETase11.95 Å
Aligned fraction0.196

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

Active site

TriadS128/D176/H210
Ser–His3.02 Å
His–Asp2.96 Å
Cleft width15.82 Å
Cleft depth4.22 Å

Aromatic clamp: PHE137, PHE56, TRP99, TYR132, TYR73

Structure, superposed on IsPETase

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

Sequence

MILIALACMLTFSTTAKAQYDFLRPVKGEIPGGYDFWVYTPTDYYYSLETTPVVMFLHGASLCSKDMNRSRRYGPLDAIVRGRQIDALVIVPQNPGGAWNPDKLNDILEWTKKNYAMDSTRVYVLGMSLGGYGTMDFAAAYPDKIAAAMALCGGCSAKDKSGLGRLPLWIIHGTGDRAVPVKQSQTVVKQLQDTNNDKRLRFDWLRGASHGALARILYMRKTYEW