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-01e97631d770

Human gut 283 aa · assembly ERZ4560895_FASTA_predicted_cds · contig ERZ4560895.11118-Hadza-MoBio-hadza-A-D-J-9-1548--NODE-11118-length-3497-cov-3.024854_2

Retrieval

E-value6.40e-09
Bitscore23.0
Identity to nearest0.280
Nearest characterisedEC:A0A1M6M213

Structure

Methodesmfold
Mean pLDDT85.9
RMSD to IsPETase13.56 Å
Aligned fraction0.223

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

Active site

TriadS134/D182/H216
Ser–His3.06 Å
His–Asp2.9 Å
Cleft width24.77 Å
Cleft depth4.36 Å

Aromatic clamp: PHE143, PHE62, TRP105, TRP210, TYR138, TYR79

Structure, superposed on IsPETase

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

Sequence

MKKNTLMILLALACMLIFSTTAKAQYDFLRPVKGEIPGGYDFWVYTPTDYYYSLESTPVVMFLHGASLCSKDMNRSRRYGPLDAIVRGRQIDALVIVPQNPGGAWNPDKLNDILEWTKKNYAMDSTRVYVLGMSLGGYGTMDFAAAYPDKIAAAMALCGGCSAKDKSGLGRLPLWIIHGTGDRAVSVKQSQVVVKELQDTNNDKRLRFDWLRGASHGALARILYMRKTYEWLFSHSTTNPGRPVRPDITIDNSDLKKAYKDMKRGVPSPEIIFEKSIKDDDEY