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-6ec99030c250

Human gut 147 aa · assembly ERZ4560321_FASTA_predicted_cds · contig ERZ4560321.15813-Hadza-MoBio-hadza-E-H-G-21-1740--NODE-15813-length-7487-cov-32.363833_1

Retrieval

E-value7.80e-09
Bitscore22.7
Identity to nearest0.320
Nearest characterisedEC:A0A7W3LQW1

Structure

Methodesmfold
Mean pLDDT88.6
RMSD to IsPETase8.73 Å
Aligned fraction0.125

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

Active site

TriadS34/D91/H124
Ser–His3.01 Å
His–Asp3.08 Å
Cleft width5.15 Å
Cleft depth5.2 Å

Aromatic clamp: PHE126, TYR58

Structure, superposed on IsPETase

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

Sequence

KKVLQQVEDLNAVIDAAKGWDFVDTDHLYLVGSSMGGATVATAAVTHSKDIRAIVLQYPAINLNPDAMVSGAPLDVNGYTGPVLILQGTKDVIVPMEMSQNLTDHYNTLRDDHAELIIYEGQPHVFTGKYKVQAARDIYQFFEETTV