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-f824db26a301

Human gut 181 aa · assembly ERZ4560750_FASTA_predicted_cds · contig ERZ4560750.175162-Hadza-MoBio-hadza-E-H-E-23-1730--NODE-175162-length-854-cov-7.791506_2

Retrieval

E-value1.70e-08
Bitscore21.6
Identity to nearest0.320
Nearest characterisedEC:A0A7W3LQW1

Structure

Methodesmfold
Mean pLDDT82.5
RMSD to IsPETase9.99 Å
Aligned fraction0.162

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

Active site

TriadS68/D125/H158
Ser–His3.09 Å
His–Asp2.94 Å
Cleft width19.39 Å
Cleft depth2.8 Å

Aromatic clamp: PHE160, PHE22, PHE4, PHE6, TRP21, TRP9, TYR33, TYR7, TYR92

Structure, superposed on IsPETase

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

Sequence

CYTFDFYGWTDRSTGPQGVHWFHDVPRGVDDSYEKKVLQQVEDLNAVIDAAKGWDFVDTDHLYLLGSSMGGATVATAAVTHSEDIRAIVLQYPAINLNPDAMVSGAPLDVNGYTGPVLILQGTKDGIVPMEMSQNLTDHYNTLRDDHAELIIYEGQPHVFTGKYKVQAARDIYRFFEETAA