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 health problem

PANTS-3b50eab19302

Human gut 248 aa · assembly ERZ4560321_FASTA_predicted_cds · contig ERZ4560321.12622-Hadza-MoBio-hadza-E-H-G-21-1740--NODE-12622-length-9005-cov-35.530242_4

Retrieval

E-value9.20e-08
Bitscore19.2
Identity to nearest0.376
Nearest characterisedHGMP01

Structure

Methodesmfold
Mean pLDDT95.9
RMSD to IsPETase14.58 Å
Aligned fraction0.170

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

Active site

TriadS127/D173/H200
Ser–His3.26 Å
His–Asp3.29 Å
Cleft width20.2 Å
Cleft depth3.52 Å

Aromatic clamp: PHE103, PHE148, PHE203, PHE66, TYR149, TYR152, TYR169, TYR206, TYR27, TYR67, TYR77

Structure, superposed on IsPETase

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

Sequence

MIYIIPIFICVIFILSIMFFIWANSTYKPTILATISMLSDNLVTITKDKYIVFTPNNITPSNGFIFYPGAKIKPEAYAPLCRKICMDGFLVAIAPMTLNLAIFSPNKAKDIINRFDNINTWAIGGHSLGGAMASNYALKDSKINSVVFYASYPAKNEFKDYNKDVLSIYGDLDGVVKLENIKGPNLPKNSTFIEIKGGNHAQFGSYGEQSGDNKATISDEKQINLSSKCTINFLNNINKPIEMQYKLS