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-197c007c6990

Human gut 258 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.298910-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-298910-length-836-cov-1.123847_1

Retrieval

E-value2.20e-10
Bitscore27.8
Identity to nearest0.265
Nearest characterisedEC:A0A931F5V8

Structure

Methodesmfold
Mean pLDDT91.4
RMSD to IsPETase11.22 Å
Aligned fraction0.219

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

Active site

TriadS161/D210/H242
Ser–His3.05 Å
His–Asp2.97 Å
Cleft width19.72 Å
Cleft depth3.58 Å

Aromatic clamp: PHE124, PHE168, PHE217, PHE249, PHE63, TRP109, TRP245, TYR112, TYR205

Structure, superposed on IsPETase

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

Sequence

MKTLLSKGMTLFICLFISFSLYAGDKASFLKRQFTSSNGYKLNYRILYPLNYSPDKSYPVILFLHGAGERGNDNEAQLVHGGNMFASYDNQSKYPAIIIAPQCPEGESWANYKHPKDNNNKREFPAAAGITPAMSAVKEMLDTYISKGIVDTKRIYVTGLSMGGMGTFDAVCRFPNFFAAAAPICGGANLKRLEQFKGKTAFSIYHGTNDDVVDPAFSRDAYKSLQKIHADVRYKEYPGVKHNSWDNAFAEPDYLSWM