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-f1b711067e4b

Human gut 174 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.434127-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-434127-length-525-cov-1.455357_1

Retrieval

E-value5.40e-10
Bitscore26.5
Identity to nearest0.295
Nearest characterisedEC:A0A8J3U475

Structure

Methodesmfold
Mean pLDDT83.9
RMSD to IsPETase10.47 Å
Aligned fraction0.177

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

Active site

TriadS69/D117/H151
Ser–His3.07 Å
His–Asp3.06 Å
Cleft width20.32 Å
Cleft depth4.55 Å

Aromatic clamp: PHE78, TRP40, TYR14, TYR73

Structure, superposed on IsPETase

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

Sequence

ASLCSKDMNRSRRYGPLDAIVRGRQIDALVIVPQNPGGAWNPDKLNDILEWTKKNYAMDSTRVYVLGMSLGGYGTMDFAAAYPDKIAAAMALCGGCSAKDKSGLGRLPLWIIHGTGDRAVPVKQSQTVVKQLQDTNNDKRLRFDWLRGASHGALARILYMRKTYEWLFSHSTAD