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-39fc3823f1a3

Marine plastisphere 404 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.16185-NODE-16185-length-1761-cov-1.831770_1

Retrieval

E-value2.60e-11
Bitscore30.8
Identity to nearest0.253
Nearest characterisedPLC:A0A1I6NU60

Structure

Methodesmfold
Mean pLDDT88.2
RMSD to IsPETase24.14 Å
Aligned fraction0.242

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

Active site

TriadS108/D199/H228
Ser–His3.14 Å
His–Asp2.94 Å
Cleft width21.68 Å
Cleft depth1.96 Å

Aromatic clamp: PHE134, PHE143, PHE165, PHE33, PHE37, PHE63, PHE65, PHE75, PHE80

Structure, superposed on IsPETase

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

Sequence

MTTERITFSGHNGSKLAARLDLPDGPHLGTALFAHCFTCSKDIPAARRIAGRLASMGIAVLRFDFTGLGHSEGEFENTSFTSNVTDLLEAAKYLAGRGMAPDMIIGHSLGGAAVLKAAPSIDSVKAVVTIGAPFDPGHVTHNFADALETIKEDGVAEVNLGGRPFRIGKSIVDDVAAEELTPSIKSLNKALLVLHAPLDSIVGIDNATQIFIHAKHPKSFVTLDNADHLVTAAEDAEYVAEVIAAWAGKYVEMTIPAPPIGAPEGIVRVSEADATGFLQDVNSGPVHHTVADEPLAYGGTNRGMSPYGFLSAGLGACTSMTIRMYARRKGWPLDHVWVDISHDKVHAQDADNGGTQKVDTFKRVIHLEGSLDDEQRQRLLEIADKCPVHRTLEASSRVETTLAA