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-c161d3214edd

Compost 180 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.232447-NODE-232449-length-542-cov-3.143737_1

Retrieval

E-value7.70e-09
Bitscore22.7
Identity to nearest0.309
Nearest characterisedEC:A0ABT4UC71

Structure

Methodesmfold
Mean pLDDT90.9
RMSD to IsPETase11.58 Å
Aligned fraction0.177

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

Active site

TriadS69/D121/H153
Ser–His2.93 Å
His–Asp3.25 Å
Cleft width18.13 Å
Cleft depth2.44 Å

Aromatic clamp: PHE10, PHE155, PHE27, PHE68, PHE97, PHE98, TRP22, TYR4, TYR95

Structure, superposed on IsPETase

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

Sequence

VLKYRLARSFTTEPTAELSKKWGSKEFNDAVDAVIPMTISDGRTAIEYVRSHAKEYDVIPNRIGIMGFSAGGTVAAGSMFGYNAKNRPDFVAPVYPFFPKEMIGEIRKDAPPLFVVAATNDGLGLAPHSVDLYTAWLNAKKDAELHMYARGDHGFGMRRNNIPTDLWIERFADWLGVQGL