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-2c1b3dd9a31b

Human gut 281 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.59466-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-59466-length-3036-cov-2.740115_3

Retrieval

E-value3.80e-10
Bitscore27.0
Identity to nearest0.265
Nearest characterisedEC:A0A931F5V8

Structure

Methodesmfold
Mean pLDDT91.5
RMSD to IsPETase10.23 Å
Aligned fraction0.219

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

Active site

TriadS179/D228/H260
Ser–His3.01 Å
His–Asp2.96 Å
Cleft width20.15 Å
Cleft depth3.61 Å

Aromatic clamp: PHE142, PHE186, PHE235, PHE267, PHE81, TRP127, TRP263, TYR130, TYR223, TYR255

Structure, superposed on IsPETase

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

Sequence

MLHSFYFLLLSIIFILNRMKTLLSKGMTLFICLFISFSLYAGDKTSFLKRQFTSSNGYKLNYRILYPLNYSPDKSYPVILFLHGAGERGNDNEAQLVHGGNMFASYDNQSKYPAIIIAPQCPEGESWANYKHPKDNNNKREFPAAAGITPAMSAVKEMLDTYISKGIVDTKRIYVTGLSMGGMGTFDAVCRFPNFFAAAAPICGGVNLKRLEQFKGKTAFSIYHGTNDDVVDPAFSRDAYKSLQKIHADVRYKEYPGVKHNSWDNAFAEPDYLSWMFQHNL