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-d94f1dfcbcb5

Compost 290 aa · assembly ERZ794971_FASTA_CDS_annotated · contig ERZ794971.17961-NODE-17961-length-2907-cov-3.744039_1

Retrieval

E-value5.50e-150
Bitscore486.0
Identity to nearest0.996
Nearest characterisedEC:A0A543IKT7

Structure

Methodesmfold
Mean pLDDT93.6
RMSD to IsPETase1.54 Å
Aligned fraction0.445

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

Active site

TriadS161/D207/H239
Ser–His3.04 Å
His–Asp2.81 Å
Cleft width16.67 Å
Cleft depth4.47 Å

Aromatic clamp: PHE219, PHE240, TRP186

Structure, superposed on IsPETase

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

Sequence

MLTTPRRAVKIAIAAAMTAVAVSVPQAAQAADNPYERGPDPTVQSIEAVRGPFSVSETNVSRLVVTGFGGGTIYYPRDTSQGTFGAVAIAPGVTASEGSMAWYGPRIASQGFVVFTIDTLTRLDQPDSRGRQLLAALDYLTQRSSVRSRIDSSRLAVMGHSMGGGGSLEASESRPSLKASIPLTPWNLKKNWRNNRVPTLIVGAENDSIASVRTHAEPFYESIPSTTNKAYLELNNATHFAPNISNTTIAKYSISWLKRFVDNDTRYEQFLCPPPRPDRDIEEYRDTCPH