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-bff0869594ae

Human gut 211 aa · assembly ERZ4560928_FASTA_predicted_cds · contig ERZ4560928.80241-Hadza-MoBio-C-REDO-E-3-1554--NODE-80241-length-636-cov-1.688730_1

Retrieval

E-value1.80e-11
Bitscore31.3
Identity to nearest0.285
Nearest characterisedEC:A0A6I4WH26

Structure

Methodesmfold
Mean pLDDT93.1
RMSD to IsPETase8.91 Å
Aligned fraction0.158

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

Active site

TriadS109/D159/H191
Ser–His2.83 Å
His–Asp3.16 Å
Cleft width16.7 Å
Cleft depth4.45 Å

Aromatic clamp: PHE154, PHE50, TRP116, TRP199, TRP78, TYR30

Structure, superposed on IsPETase

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

Sequence

STLTEGQYRSMGYLLYTPANAQADMPLIVYLHGGHGKGSDLSILTTTDGFPQYLADGTLGEIPAYVLIPQLPADQNGWKAADDTVMSLIDKICTENKIDRSRISLTGHSMGGTGTWDIALLHPEVFSRIAPMSGSIQTTADTLAALSDMPIWTFVGDADRVVKPESTEQFITALQEQNANAKLTVFADTDHVGVLQTAWLEDGAALIDWLI