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-67f5d71ad4c3

Human gut 132 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.64486-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-64486-length-3669-cov-34.498330_1

Retrieval

E-value1.40e-08
Bitscore21.8
Identity to nearest0.279
Nearest characterisedHGMP02

Structure

Methodesmfold
Mean pLDDT80.8
RMSD to IsPETase13.69 Å
Aligned fraction0.136

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

Active site

TriadS19/D76/H109
Ser–His2.92 Å
His–Asp2.9 Å
Cleft width5.46 Å
Cleft depth6.23 Å

Aromatic clamp: PHE111, TYR43

Structure, superposed on IsPETase

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

Sequence

AAKGWDFVDTSRLYLVGSSMGGATVATAAVTHSDDIRGIVLQYPAINLNPDAMVSGAPLDVNGYTGPVLILQGTKDVIVPMEMSKNLAAHYNTLRDDHAELIIYEGQPHVFTGKYKVLAAKEIYRFLEEAAS