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-8cf135a7574f

Compost 242 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.113661-NODE-113663-length-730-cov-2.265185_1

Retrieval

E-value3.50e-10
Bitscore27.1
Identity to nearest0.315
Nearest characterisedEC:A0A6P2BTG6

Structure

Methodesmfold
Mean pLDDT86.1
RMSD to IsPETase12.37 Å
Aligned fraction0.174

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

Active site

TriadS111/D162/H191
Ser–His3.22 Å
His–Asp3.07 Å
Cleft width23.27 Å
Cleft depth3.14 Å

Aromatic clamp: PHE167, PHE2, PHE25, TYR6

Structure, superposed on IsPETase

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

Sequence

LFRSGYRRIIETIAGAGYVVAAPSFPLADAEVAGENLDRGDIPNQSGDLRFVADQLTAGSADPTAPEGSAGPGGSAVPAGPEGSGADAGAAALAAVRARIDPTRIGAVGHSDGADTVLDLGYHRDRLDRRVRAVVALSPDVVLPPGGPAARPPLLLVHGTSDRIAPFSGSDTMFARLPVPRWLVGLTGADHLGPVQGTAPWGAVLDRATLAALDRFVAERTLAPGDDLADIATEGVATVRAS