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-5b5625eec855

Compost 287 aa · assembly ERZ794971_FASTA_CDS_annotated · contig ERZ794971.5305-NODE-5305-length-8223-cov-4.586680_2

Retrieval

E-value7.80e-23
Bitscore68.6
Identity to nearest0.667
Nearest characterisedPLC:A0A1H1SPY0

Structure

Methodesmfold
Mean pLDDT92.2
RMSD to IsPETase3.49 Å
Aligned fraction0.245

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

Active site

TriadS154/D204/H234
Ser–His3.06 Å
His–Asp3.08 Å
Cleft width15.9 Å
Cleft depth4.65 Å

Aromatic clamp: PHE175, PHE235, TRP82, TYR178, TYR244, TYR93

Structure, superposed on IsPETase

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

Sequence

MLNGLIQKSASALTLAFALISTSSFAANPPPEGETGTGFPNVADYEASGPFRTTDSLETSGCRIYRPTNLGENGLQHPVILWGNGTGATTSTYGRLLDHWASHGFIVAAATTSNAGTGSDMLNCLDYLEQANARSWGTYSGVVDVTRVGAAGHSQGGGGSIMAGQDPRIKVTAPFQPYTLGLGHRSSSQSRQNGPMFLMSGSADTIAGPILNQRPVFRNANVPVFWGTLRGATHFEPVGNAGGYRGPSTAWFRYHLMEDQHAREGFYGSNCTLCTSRSWDVERKGIN