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-621f9af66105

Human gut 221 aa · assembly ERZ24772238_FASTA_predicted_cds · contig ERZ24772238.54558-NODE-54570-length-757-cov-108.760684_1

Retrieval

E-value2.80e-10
Bitscore27.4
Identity to nearest0.330
Nearest characterisedEC:A0A7K0C0L9

Structure

Methodesmfold
Mean pLDDT93.3
RMSD to IsPETase9.97 Å
Aligned fraction0.192

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

Active site

TriadS117/D165/H197
Ser–His2.82 Å
His–Asp3.29 Å
Cleft width17.9 Å
Cleft depth4.31 Å

Aromatic clamp: TRP124, TRP195, TRP85, TYR205, TYR38

Structure, superposed on IsPETase

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

Sequence

TDSDFGFNVWSYNNITLPYRETVITAGGTQQKPILVIYLHGGLKRGSDNVRQMNEDAIYTIADYLCRNCINAFMIVPQCPDSLTWGVQTNEIIKNLVDEYMNKGKVDPDRIYLVGGSMGGTGAWKMASAYPYLFAAVMPVAGNPDTVDAALLANTPVCTVMGTGDKLMDIAPVISFMKRLKELNGEAILDVENGWSHIKSCTESYTDKRLNWLFNHIRSSK