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-f71cae5478f9

Human gut 255 aa · assembly ERZ24772404_FASTA_predicted_cds · contig ERZ24772404.293-NODE-293-length-65543-cov-28.724316_17

Retrieval

E-value7.70e-12
Bitscore32.5
Identity to nearest0.310
Nearest characterisedHGMP04

Structure

Methodesmfold
Mean pLDDT90.8
RMSD to IsPETase10.94 Å
Aligned fraction0.189

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

Active site

TriadS154/D202/H234
Ser–His2.94 Å
His–Asp2.98 Å
Cleft width22.28 Å
Cleft depth3.35 Å

Aromatic clamp: PHE113, PHE197, PHE229, PHE241, PHE57, TRP103, TRP237, TYR102, TYR105, TYR161

Structure, superposed on IsPETase

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

Sequence

MKQWSILLVFLSLSLSLSAQQGYEKDVFVSSTGDSLPYRMIRPEPMKAGKKYPLVLFLHGAGERGNDNERQLTHGGQMFLNPVNREKYPAFVLVPQCPAGSYWAYTERPKSLFPADMPAGQEMSSLTRTLKQLLDTYLVMPEVDKKRIYIVGLSMGAMGTYDLVVRYPEIFAAAVPICGSVNPDRLPAAKEVKFRIFHGDADDVVTVEGSREAYKALKAAGAKVEYIEFPGCNHGSWNPAFNYPGFMEWLFKQKK