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-721626f6c0b3

Compost 309 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.21627-NODE-21629-length-1511-cov-5.353709_2

Retrieval

E-value5.60e-10
Bitscore26.4
Identity to nearest0.298
Nearest characterisedEC:A0ABW2PJI5

Structure

Methodesmfold
Mean pLDDT80.1
RMSD to IsPETase10.25 Å
Aligned fraction0.238

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

Active site

TriadS156/D227/H256
Ser–His2.97 Å
His–Asp3.18 Å
Cleft width24.48 Å
Cleft depth2.15 Å

Aromatic clamp: PHE153, PHE197, PHE205, PHE59, PHE73, PHE90, TYR193, TYR196

Structure, superposed on IsPETase

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

Sequence

GSFAAKPVDYVVLVCYPTHPGNVRADFPLPTGQVVPRMQLGSDAPLLADASVRYPVLAFSHGLAESPLSDDHFLVLTWLASHGYVVVAPFHGDPRFTRLQIDNARDAVAVLSNLDDAVAMQALRPLAMSAALDLLSTHPQWRDHIDTAQIGGFGASLGGETLLLMGGAALTTSLGLASSPIGTDTRLKAAVGYVPYFGQPLLPAFGRDQRGLDRVTLPFLGIGGSADTTAPLAATREGMARLRGPRQLVALAGVEHRLDATASPDILTWSLTFLDAQVRGLADARTQQSAMGSVAGGADDSVAIPWNGP