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-57023fa5e8bb

Human gut 282 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.20548-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-20548-length-6711-cov-3.529846_4

Retrieval

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

Structure

Methodesmfold
Mean pLDDT91.7
RMSD to IsPETase9.80 Å
Aligned fraction0.219

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

Active site

TriadS180/D229/H261
Ser–His3.01 Å
His–Asp2.96 Å
Cleft width20.13 Å
Cleft depth3.61 Å

Aromatic clamp: PHE143, PHE187, PHE236, PHE268, PHE82, TRP128, TRP264, TYR131, TYR224, TYR256

Structure, superposed on IsPETase

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

Sequence

MVLHSFYFLLLSIIFILNRMKTLLSKGMTLFICLFISFSLYAGDKASFLKRQFTSSNGYKLNYRILYPLNYSPDKSYPVILFLHGAGERGNDNEAQLVHGGNMFASYDNQSKYPAIIIAPQCPEGESWANYKHPKDNNNKREFPAAAGITPAMSAVKEMLDTYISKGIVDTKRIYVTGLSMGGMGTFDAVCRFPNFFAAAAPICGGVNLKRLEQFKGKTAFSIYHGTNDDVVDPAFSRDAYKSLQKIHADVRYKEYPGVKHNSWDNAFAEPDYLSWMFQHNL