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-e21c0d81eb8e

Human gut 283 aa · assembly ERZ4560321_FASTA_predicted_cds · contig ERZ4560321.2635-Hadza-MoBio-hadza-E-H-G-21-1740--NODE-2635-length-29300-cov-5.363412_15

Retrieval

E-value1.50e-09
Bitscore25.0
Identity to nearest0.295
Nearest characterisedEC:A0A8J3U475

Structure

Methodesmfold
Mean pLDDT87.8
RMSD to IsPETase14.07 Å
Aligned fraction0.223

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

Active site

TriadS134/D182/H216
Ser–His3.17 Å
His–Asp2.93 Å
Cleft width15.85 Å
Cleft depth4.28 Å

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

Structure, superposed on IsPETase

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

Sequence

MKKYTLMILIALACMLTFSTTAKAQYDFLRPVKGEIPGGYDFWVYTPTDYYYSLETTPVVMFLHGASLCSKDMNRSRRYGPLDAIVRGRQIDALVIVPQNPGGAWNPDKLNDILEWTKKNYAMDSTRVYVLGMSLGGYGTMDFAAAYPDKIAAAMALCGGCSAKDKSGLGRLPLWIIHGTGDRAVPVKQSQTVVKQLQDTNNDKRLRFDWLRGASHGALARILYMRKTYEWLFSHSTADPGRPVRPDITIDNSDLKKAYNDMKRGVPSPEIIFEKSIKDDDEY