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-381df9a78ed6

Human gut 258 aa · assembly ERZ24772358_FASTA_predicted_cds · contig ERZ24772358.841-NODE-841-length-30639-cov-28.993559_6

Retrieval

E-value4.10e-12
Bitscore33.5
Identity to nearest0.293
Nearest characterisedEC:A0A8J3U475

Structure

Methodesmfold
Mean pLDDT90.1
RMSD to IsPETase8.99 Å
Aligned fraction0.189

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

Active site

TriadS155/D203/H235
Ser–His2.98 Å
His–Asp3.07 Å
Cleft width21.61 Å
Cleft depth3.18 Å

Aromatic clamp: PHE198, PHE230, PHE242, PHE58, TRP104, TRP238, TYR103, TYR106, TYR162

Structure, superposed on IsPETase

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

Sequence

MMKQWTTLLVFLFLSLSLSAQQEYGRDIFVSSKGDSLPYRMIHPESVKPGEKYPLVLFLHGAGERGNDNEKQLTHGGQMFLNPVNQEKYPAFVLIPQCPTDGYWAYTGRPKSLIPTEMPVGQEISPILQTLKQLLDSYLVMPEVDTQRVYIIGLSMGAMGTYDLVIRYPEIFAAAIPICGIVNPSRLSAAKDVKFRIFHGDADDVVPVKGSREAYKALKAAGADVEYIEFPGCNHGSWNPAFNYPGFMDWLFKQKKKR