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-10dd2fe71095

Human gut 208 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.5-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-5-length-495211-cov-51.364392_341

Retrieval

E-value1.50e-09
Bitscore25.0
Identity to nearest0.271
Nearest characterisedEC:A0A7W3N2I8

Structure

Methodesmfold
Mean pLDDT91.7
RMSD to IsPETase11.06 Å
Aligned fraction0.143

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

Active site

TriadS104/D155/H188
Ser–His2.99 Å
His–Asp2.9 Å
Cleft width20.19 Å
Cleft depth4.37 Å

Aromatic clamp: PHE108, PHE189, PHE195, PHE30, PHE72, TRP111, TRP73, TYR113, TYR150, TYR47

Structure, superposed on IsPETase

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

Sequence

MEKCYKFDNDINYIVYYPKEKKDNLPLLIFLHGIGERGKNVFNIEKYALPKYMNRFDIPYIVIAPQCSDNNFWDYHLRDVEKILKDVYKNYKYDKNRICVLGSSMGAFGAWNYIMMRPELFKGIVSVSGGIMLPIENTLSKIKDKAILIYHGDKDDVIDVSKSIEAYNKLKSIEAKNIELKIIENDNHFLTSHAFKDKYLYEWLERNI