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-89f465b7f037

Human gut 185 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.228809-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-228809-length-898-cov-1.012180_2

Retrieval

E-value1.60e-11
Bitscore31.5
Identity to nearest0.333
Nearest characterisedEC:A0ABR9P363

Structure

Methodesmfold
Mean pLDDT90.6
RMSD to IsPETase19.34 Å
Aligned fraction0.132

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

Active site

TriadS44/D126/H158
Ser–His2.91 Å
His–Asp3.19 Å
Cleft width9.32 Å
Cleft depth5.18 Å

Aromatic clamp: PHE48, PHE76, TYR45, TYR92

Structure, superposed on IsPETase

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

Sequence

GKTYTHLDDVEKRLDSVHDIDALVKHLVETGIADKDRIAVMGGSYGGFMTLSCVARYPELWAAGVDVVGMTNLVTFLENTSEYRRAHRESEYGTLAHDRETLYNVSPIAKVGDIKAPLMVIHGANDPRVPVTEADMIVENVKSRGIEVSYLRYEDEGHGLAKRKNQLDCYPQVVAFLKKHLRMED