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-e7d71575fd7a

Compost 287 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.30170-NODE-30172-length-1294-cov-2.004036_2

Retrieval

E-value6.90e-08
Bitscore19.6
Identity to nearest0.295
Nearest characterisedEC:A0A7W3R6L2

Structure

Methodesmfold
Mean pLDDT86.8
RMSD to IsPETase16.85 Å
Aligned fraction0.238

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

Active site

TriadS175/D231/H262
Ser–His2.84 Å
His–Asp2.78 Å
Cleft width26.12 Å
Cleft depth4.23 Å

Aromatic clamp: PHE118, PHE122, PHE203, PHE234, PHE258, PHE94, TRP171, TRP230, TYR176, TYR213, TYR78, TYR84, TYR98

Structure, superposed on IsPETase

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

Sequence

RPDYAALAPSPDAVFQALARQFDYVPLDGEARVRPLVSSSPAWRREEVELPIGYERGTFNVQLFIPVGGTPPYPVVLYGPHAGYRTGLLRSDEFNATYGSGPVDFVIKSGRALAVIAFDGCFERTWTAERKTSMQPGESARLLLRHMRQDLGRTLDYLQTRADLDTTRVGWLGHSYGAASLVPLIALEPRIRAAVLNSGGIAFTGLPPDEETYNYLPRVTQPVLMLNGRWDDLFPVESQEAMFRLLGTPPDRKRHVVFEAGHAVLPVRPMIAETLDFFDRHLVTTFP