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-af0564b4feb9

Human gut 275 aa · assembly ERZ4560895_FASTA_predicted_cds · contig ERZ4560895.7467-Hadza-MoBio-hadza-A-D-J-9-1548--NODE-7467-length-5062-cov-4.152859_4

Retrieval

E-value7.30e-10
Bitscore26.1
Identity to nearest0.278
Nearest characterisedEC:A0A8J3PRQ9

Structure

Methodesmfold
Mean pLDDT88.5
RMSD to IsPETase9.25 Å
Aligned fraction0.196

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

Active site

TriadS130/D178/H212
Ser–His2.99 Å
His–Asp2.89 Å
Cleft width18.95 Å
Cleft depth4.41 Å

Aromatic clamp: PHE139, PHE218, PHE219, PHE58, TRP101, TYR134, TYR75

Structure, superposed on IsPETase

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

Sequence

MIKRLFITMLVAVAAIAAYAQYDFIRPVKDSIPGGYNFWVYTPTDYYYSLNETPVIIFLHGQSLCGRDLNRVRRYGPLHAIVMGRQVDALVVVPQNPGGAWNPKKINDVLEWTKRNYACDSTRVYVIGMSLGGYGTLDFTATYPDKVAAALAMCGGCSVKDRTPLGKVPLWIIHGTADRAVPISMSKSVVNDLERTDNDSRLRYTWLKGANHGTPARFFYMRKTYEWLFSHSLLDPDRPVNRGISLGMEDVPTAYRNMEFKKGVDPETVYETTIK