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-04bdd4c7dfe7

Human gut 287 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.5630-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-5630-length-18461-cov-3.351773_13

Retrieval

E-value3.70e-08
Bitscore20.5
Identity to nearest0.276
Nearest characterisedEC:A0A239F952

Structure

Methodesmfold
Mean pLDDT90.5
RMSD to IsPETase17.20 Å
Aligned fraction0.177

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

Active site

TriadS145/D193/H226
Ser–His2.87 Å
His–Asp2.97 Å
Cleft width19.71 Å
Cleft depth3.61 Å

Aromatic clamp: PHE149, PHE188, PHE233, PHE49, TRP102, TRP152, TRP229, TRP97, TYR107, TYR221

Structure, superposed on IsPETase

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

Sequence

MVQVKRKHAYAPKDIFDFCTYEGKNISLPYRMYIPKNYDCGEMYPLVVFLHGAGERGDDNRIQVERPGQMDLIFADYESPIYDSIVIAPQCPAGHRWVNTPWEDGNYSADDIPESDELKAVTKLIDECCREYNVDRDRIYIMGISMGGFGTWDMIMRHGERFACAMPVCGGGDPSYANKLKNIPIRTFHGSRDEAVPVASTREMFAAIAKAGGKNISYTEYDDRGHCVWDEVFPDTDNFRWMFEQNLAERRKKYEKVKKAKRFAIASGAVGALVSIAAFVLSKKGKK